Oprea1_690056,ZINC01808441,BAS 07248584,A2994/0126192,3-[1-(3-Methyl-b

[Synonyms]
Oprea1_690056
ZINC01808441
BAS 07248584
A2994/0126192
3-[1-(3-Methyl-benzyl)-1H-benzoimidazol-2-yl]-propan-1-ol

[Structure]

[ Properties Computed from Structure]

Molecular Weight	280.3642 [g/mol]
Molecular Formula	C18H20N2O
XLogP	3.5
H-Bond Donor	1
H-Bond Acceptor	3
Rotatable Bond Count	5
Tautomer Count	2
Exact Mass	280.157563
MonoIsotopic Mass	280.157563
Topological Polar Surface Area	38.1
Heavy Atom Count	21
Formal Charge	0
Complexity	322
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

[ Descriptors Computed from Structure]
IUPAC Name: 3-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propan-1-ol
Canonical SMILES: CC1=CC(=CC=C1)CN2C3=CC=CC=C3N=C2CCCO
InChI: InChI=1/C18H20N2O/c1-14-6-4-7-15(12-14)13-20-17-9-3-2-8-16(17)19-18(20)
10-5-11-21/h2-4,6-9,12,21H,5,10-11,13H2,1H3