1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(2-pyrrolidin-3-ylethyl)benzimidazole

C22H26ClN3 — CID 70852725

IUPAC1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(2-pyrrolidin-3-ylethyl)benzimidazole
SMILESCc1cc2nc(CCC3CCNC3)n(Cc3ccc(Cl)cc3)c2cc1C
InChIInChI=1S/C22H26ClN3/c1-15-11-20-21(12-16(15)2)26(14-18-3-6-19(23)7-4-18)22(25-20)8-5-17-9-10-24-13-17/h3-4,6-7,11-12,17,24H,5,8-10,13-14H2,1-2H3
InChIKeyDAOQHEJOPASUEL-UHFFFAOYSA-N
MW367.92 g/mol
LogP4.90
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(2-pyrrolidin-3-ylethyl)benzimidazole

1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(2-pyrrolidin-3-ylethyl)benzimidazole (PubChem CID 70852725) has the molecular formula C22H26ClN3 and a molecular weight of 367.92 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(2-pyrrolidin-3-ylethyl)benzimidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(2-pyrrolidin-3-ylethyl)benzimidazole
PubChem CID70852725
Molecular FormulaC22H26ClN3
Molecular Weight367.92 g/mol
Exact Mass367.18
IUPAC Name1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(2-pyrrolidin-3-ylethyl)benzimidazole
SMILESCc1cc2nc(CCC3CCNC3)n(Cc3ccc(Cl)cc3)c2cc1C
InChIInChI=1S/C22H26ClN3/c1-15-11-20-21(12-16(15)2)26(14-18-3-6-19(23)7-4-18)22(25-20)8-5-17-9-10-24-13-17/h3-4,6-7,11-12,17,24H,5,8-10,13-14H2,1-2H3
InChIKeyDAOQHEJOPASUEL-UHFFFAOYSA-N
XLogP4.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 54.90
H-Bond Donors ≤ 51
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-(2-pyrrolidin-3-ylethyl)benzimidazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(2-pyrrolidin-3-ylethyl)benzimidazole (CID 70852725) is 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(2-pyrrolidin-3-ylethyl)benzimidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(2-pyrrolidin-3-ylethyl)benzimidazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(2-pyrrolidin-3-ylethyl)benzimidazole is Cc1cc2nc(CCC3CCNC3)n(Cc3ccc(Cl)cc3)c2cc1C.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(2-pyrrolidin-3-ylethyl)benzimidazole?
The InChIKey is DAOQHEJOPASUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3/c1-15-11-20-21(12-16(15)2)26(14-18-3-6-19(23)7-4-18)22(25-20)8-5-17-9-10-24-13-17/h3-4,6-7,11-12,17,24H,5,8-10,13-14H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(2-pyrrolidin-3-ylethyl)benzimidazole?
1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(2-pyrrolidin-3-ylethyl)benzimidazole has a molecular weight of 367.92 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 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-(2-pyrrolidin-3-ylethyl)benzimidazole is sourced from PubChem (CID 70852725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).