(1S)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]butan-1-ol

C19H22N2O — CID 25405248

IUPAC(1S)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]butan-1-ol
SMILESCCC[C@H](O)c1nc2ccccc2n1Cc1ccccc1C
InChIInChI=1S/C19H22N2O/c1-3-8-18(22)19-20-16-11-6-7-12-17(16)21(19)13-15-10-5-4-9-14(15)2/h4-7,9-12,18,22H,3,8,13H2,1-2H3/t18-/m0/s1
InChIKeySNIIGYZMJKIJPJ-SFHVURJKSA-N
MW294.40 g/mol
LogP4.23
Rot. Bonds5

About (1S)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]butan-1-ol

(1S)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]butan-1-ol (PubChem CID 25405248) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (1S)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]butan-1-ol.

Molecular Properties

Compound Name(1S)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]butan-1-ol
PubChem CID25405248
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(1S)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]butan-1-ol
SMILESCCC[C@H](O)c1nc2ccccc2n1Cc1ccccc1C
InChIInChI=1S/C19H22N2O/c1-3-8-18(22)19-20-16-11-6-7-12-17(16)21(19)13-15-10-5-4-9-14(15)2/h4-7,9-12,18,22H,3,8,13H2,1-2H3/t18-/m0/s1
InChIKeySNIIGYZMJKIJPJ-SFHVURJKSA-N
XLogP4.23
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-methylbutyl)benzimidazol-2-yl]butan-1-ol
CID 17027807
(1R)-1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol
CID 92735925
(1S)-1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol
CID 92735926
1-(1-methylbenzimidazol-2-yl)butan-1-ol
CID 17027803
2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969021
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 2987392
2-[(2-methylphenyl)methoxy-phenylmethyl]-1-[(2-methylphenyl)methyl]benzimidazole
CID 18811084
1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol
CID 50745340
2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 17027842
1-[(2-methylphenyl)methyl]-2-phenylbenzimidazole
CID 1320430
3-bromo-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010269
1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol
CID 17027791

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]butan-1-ol?
The IUPAC name of (1S)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]butan-1-ol (CID 25405248) is (1S)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]butan-1-ol.
What is the SMILES notation for (1S)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]butan-1-ol?
The canonical SMILES for (1S)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]butan-1-ol is CCC[C@H](O)c1nc2ccccc2n1Cc1ccccc1C.
What is the InChIKey of (1S)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]butan-1-ol?
The InChIKey is SNIIGYZMJKIJPJ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O/c1-3-8-18(22)19-20-16-11-6-7-12-17(16)21(19)13-15-10-5-4-9-14(15)2/h4-7,9-12,18,22H,3,8,13H2,1-2H3/t18-/m0/s1.
What are the key properties of (1S)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]butan-1-ol?
(1S)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]butan-1-ol has a molecular weight of 294.40 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]butan-1-ol is sourced from PubChem (CID 25405248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).