[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]methanol

C19H21ClN2O — CID 19094237

IUPAC[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]methanol
SMILESCCCCc1nc2ccc(CO)cc2n1Cc1ccccc1Cl
InChIInChI=1S/C19H21ClN2O/c1-2-3-8-19-21-17-10-9-14(13-23)11-18(17)22(19)12-15-6-4-5-7-16(15)20/h4-7,9-11,23H,2-3,8,12-13H2,1H3
InChIKeyNKSJMPXYUMSUNN-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.57
Rot. Bonds6

About [2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]methanol

[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]methanol (PubChem CID 19094237) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is [2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]methanol
PubChem CID19094237
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]methanol
SMILESCCCCc1nc2ccc(CO)cc2n1Cc1ccccc1Cl
InChIInChI=1S/C19H21ClN2O/c1-2-3-8-19-21-17-10-9-14(13-23)11-18(17)22(19)12-15-6-4-5-7-16(15)20/h4-7,9-11,23H,2-3,8,12-13H2,1H3
InChIKeyNKSJMPXYUMSUNN-UHFFFAOYSA-N
XLogP4.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxamide;hydrochloride
CID 139615644
1-[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-2-methylpropan-1-one
CID 18315589
2-butyl-3-[(2-chlorophenyl)methyl]-N,N-dimethylbenzimidazole-5-carboxamide
CID 18315518
N-[3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]acetamide
CID 22620334
4-[(2-butylbenzimidazol-1-yl)methyl]aniline
CID 54524981
2-butyl-6-chloro-3-[(2-chlorophenyl)methyl]benzimidazole-4-carboxylic acid
CID 19094249
[3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]-piperidin-1-ylmethanone
CID 18315440
6-bromo-2-(2-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 65345066
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]butanamide
CID 4754809
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166
2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 29075827
4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid
CID 14987298

Frequently Asked Questions

What is the IUPAC name of [2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]methanol?
The IUPAC name of [2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]methanol (CID 19094237) is [2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]methanol.
What is the SMILES notation for [2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]methanol?
The canonical SMILES for [2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]methanol is CCCCc1nc2ccc(CO)cc2n1Cc1ccccc1Cl.
What is the InChIKey of [2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]methanol?
The InChIKey is NKSJMPXYUMSUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-2-3-8-19-21-17-10-9-14(13-23)11-18(17)22(19)12-15-6-4-5-7-16(15)20/h4-7,9-11,23H,2-3,8,12-13H2,1H3.
What are the key properties of [2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]methanol?
[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]methanol has a molecular weight of 328.84 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]methanol is sourced from PubChem (CID 19094237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).