[2-(5-chloro-1,4-dimethylbenzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone

C24H25ClN6O2 — CID 118128239

IUPAC[2-(5-chloro-1,4-dimethylbenzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone
SMILESCOc1ccc(-n2nccn2)c(C(=O)N2CCCC2(C)c2nc3c(C)c(Cl)ccc3n2C)c1
InChIInChI=1S/C24H25ClN6O2/c1-15-18(25)7-9-20-21(15)28-23(29(20)3)24(2)10-5-13-30(24)22(32)17-14-16(33-4)6-8-19(17)31-26-11-12-27-31/h6-9,11-12,14H,5,10,13H2,1-4H3
InChIKeySABPYUNGMHYDLK-UHFFFAOYSA-N
MW464.96 g/mol
LogP4.28
Rot. Bonds4

About [2-(5-chloro-1,4-dimethylbenzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone

[2-(5-chloro-1,4-dimethylbenzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone (PubChem CID 118128239) has the molecular formula C24H25ClN6O2 and a molecular weight of 464.96 g/mol. Its IUPAC name is [2-(5-chloro-1,4-dimethylbenzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(5-chloro-1,4-dimethylbenzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone
PubChem CID118128239
Molecular FormulaC24H25ClN6O2
Molecular Weight464.96 g/mol
Exact Mass464.17
IUPAC Name[2-(5-chloro-1,4-dimethylbenzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone
SMILESCOc1ccc(-n2nccn2)c(C(=O)N2CCCC2(C)c2nc3c(C)c(Cl)ccc3n2C)c1
InChIInChI=1S/C24H25ClN6O2/c1-15-18(25)7-9-20-21(15)28-23(29(20)3)24(2)10-5-13-30(24)22(32)17-14-16(33-4)6-8-19(17)31-26-11-12-27-31/h6-9,11-12,14H,5,10,13H2,1-4H3
InChIKeySABPYUNGMHYDLK-UHFFFAOYSA-N
XLogP4.28
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.96
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-1,4-dimethylbenzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [2-(5-chloro-1,4-dimethylbenzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone (CID 118128239) is [2-(5-chloro-1,4-dimethylbenzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [2-(5-chloro-1,4-dimethylbenzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [2-(5-chloro-1,4-dimethylbenzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone is COc1ccc(-n2nccn2)c(C(=O)N2CCCC2(C)c2nc3c(C)c(Cl)ccc3n2C)c1.
What is the InChIKey of [2-(5-chloro-1,4-dimethylbenzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is SABPYUNGMHYDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O2/c1-15-18(25)7-9-20-21(15)28-23(29(20)3)24(2)10-5-13-30(24)22(32)17-14-16(33-4)6-8-19(17)31-26-11-12-27-31/h6-9,11-12,14H,5,10,13H2,1-4H3.
What are the key properties of [2-(5-chloro-1,4-dimethylbenzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone?
[2-(5-chloro-1,4-dimethylbenzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 464.96 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-1,4-dimethylbenzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 118128239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).