1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)benzimidazole

C21H24ClN3 — CID 59172275

IUPAC1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)benzimidazole
SMILESCc1cc2nc(CN3CCCC3)n(Cc3ccc(Cl)cc3)c2cc1C
InChIInChI=1S/C21H24ClN3/c1-15-11-19-20(12-16(15)2)25(13-17-5-7-18(22)8-6-17)21(23-19)14-24-9-3-4-10-24/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3
InChIKeyYILHPPDQGDRARO-UHFFFAOYSA-N
MW353.90 g/mol
LogP4.95
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)benzimidazole

1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)benzimidazole (PubChem CID 59172275) has the molecular formula C21H24ClN3 and a molecular weight of 353.90 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)benzimidazole
PubChem CID59172275
Molecular FormulaC21H24ClN3
Molecular Weight353.90 g/mol
Exact Mass353.17
IUPAC Name1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)benzimidazole
SMILESCc1cc2nc(CN3CCCC3)n(Cc3ccc(Cl)cc3)c2cc1C
InChIInChI=1S/C21H24ClN3/c1-15-11-19-20(12-16(15)2)25(13-17-5-7-18(22)8-6-17)21(23-19)14-24-9-3-4-10-24/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3
InChIKeyYILHPPDQGDRARO-UHFFFAOYSA-N
XLogP4.95
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)benzimidazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)benzimidazole (CID 59172275) is 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)benzimidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)benzimidazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)benzimidazole is Cc1cc2nc(CN3CCCC3)n(Cc3ccc(Cl)cc3)c2cc1C.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)benzimidazole?
The InChIKey is YILHPPDQGDRARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3/c1-15-11-19-20(12-16(15)2)25(13-17-5-7-18(22)8-6-17)21(23-19)14-24-9-3-4-10-24/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)benzimidazole?
1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)benzimidazole has a molecular weight of 353.90 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)benzimidazole is sourced from PubChem (CID 59172275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).