1-[(4-chlorophenyl)methyl]-6-methoxy-2-(pyrrolidin-1-ylmethyl)benzimidazole

C20H22ClN3O — CID 66670689

IUPAC1-[(4-chlorophenyl)methyl]-6-methoxy-2-(pyrrolidin-1-ylmethyl)benzimidazole
SMILESCOc1ccc2nc(CN3CCCC3)n(Cc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C20H22ClN3O/c1-25-17-8-9-18-19(12-17)24(13-15-4-6-16(21)7-5-15)20(22-18)14-23-10-2-3-11-23/h4-9,12H,2-3,10-11,13-14H2,1H3
InChIKeyIZQSUECDESDKJE-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.34
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-6-methoxy-2-(pyrrolidin-1-ylmethyl)benzimidazole

1-[(4-chlorophenyl)methyl]-6-methoxy-2-(pyrrolidin-1-ylmethyl)benzimidazole (PubChem CID 66670689) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-6-methoxy-2-(pyrrolidin-1-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-6-methoxy-2-(pyrrolidin-1-ylmethyl)benzimidazole
PubChem CID66670689
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name1-[(4-chlorophenyl)methyl]-6-methoxy-2-(pyrrolidin-1-ylmethyl)benzimidazole
SMILESCOc1ccc2nc(CN3CCCC3)n(Cc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C20H22ClN3O/c1-25-17-8-9-18-19(12-17)24(13-15-4-6-16(21)7-5-15)20(22-18)14-23-10-2-3-11-23/h4-9,12H,2-3,10-11,13-14H2,1H3
InChIKeyIZQSUECDESDKJE-UHFFFAOYSA-N
XLogP4.34
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 59172275
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydroiodide
CID 134350366
1-[(3,4-dimethylphenyl)methyl]-2-[[4-[(2-fluoro-5-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]benzimidazole
CID 10238976
(3S)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 124799226
1-benzyl-6-methoxy-2-(2-phenylethyl)benzimidazole
CID 134083782
1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
CID 90665116
2-(azepan-1-ylmethyl)-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 18885373
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;octanedioic acid
CID 155011240
(3R)-N-(3-chloro-4-fluorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidine-3-carboxamide
CID 124799324
[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone
CID 124798833
1-[(4-chlorophenyl)methyl]-2-[dideuterio(pyrrolidin-1-yl)methyl]benzimidazole
CID 46940214
1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 18884998

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-6-methoxy-2-(pyrrolidin-1-ylmethyl)benzimidazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-6-methoxy-2-(pyrrolidin-1-ylmethyl)benzimidazole (CID 66670689) is 1-[(4-chlorophenyl)methyl]-6-methoxy-2-(pyrrolidin-1-ylmethyl)benzimidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-6-methoxy-2-(pyrrolidin-1-ylmethyl)benzimidazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-6-methoxy-2-(pyrrolidin-1-ylmethyl)benzimidazole is COc1ccc2nc(CN3CCCC3)n(Cc3ccc(Cl)cc3)c2c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-6-methoxy-2-(pyrrolidin-1-ylmethyl)benzimidazole?
The InChIKey is IZQSUECDESDKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-25-17-8-9-18-19(12-17)24(13-15-4-6-16(21)7-5-15)20(22-18)14-23-10-2-3-11-23/h4-9,12H,2-3,10-11,13-14H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-6-methoxy-2-(pyrrolidin-1-ylmethyl)benzimidazole?
1-[(4-chlorophenyl)methyl]-6-methoxy-2-(pyrrolidin-1-ylmethyl)benzimidazole has a molecular weight of 355.87 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-6-methoxy-2-(pyrrolidin-1-ylmethyl)benzimidazole is sourced from PubChem (CID 66670689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).