N-(4-chlorophenyl)-4-(2,5-dimethylpyrrol-1-yl)-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine

C25H22ClN5 — CID 118095021

IUPACN-(4-chlorophenyl)-4-(2,5-dimethylpyrrol-1-yl)-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine
SMILESCc1ccc(C)n1-c1cc(Nc2ccc(Cl)cc2)nc(-n2c(C)nc3ccccc32)c1
InChIInChI=1S/C25H22ClN5/c1-16-8-9-17(2)30(16)21-14-24(28-20-12-10-19(26)11-13-20)29-25(15-21)31-18(3)27-22-6-4-5-7-23(22)31/h4-15H,1-3H3,(H,28,29)
InChIKeyCKNSELHNXBIAQA-UHFFFAOYSA-N
MW427.94 g/mol
LogP6.53
Rot. Bonds4

About N-(4-chlorophenyl)-4-(2,5-dimethylpyrrol-1-yl)-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine

N-(4-chlorophenyl)-4-(2,5-dimethylpyrrol-1-yl)-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine (PubChem CID 118095021) has the molecular formula C25H22ClN5 and a molecular weight of 427.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(2,5-dimethylpyrrol-1-yl)-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(2,5-dimethylpyrrol-1-yl)-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine
PubChem CID118095021
Molecular FormulaC25H22ClN5
Molecular Weight427.94 g/mol
Exact Mass427.16
IUPAC NameN-(4-chlorophenyl)-4-(2,5-dimethylpyrrol-1-yl)-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine
SMILESCc1ccc(C)n1-c1cc(Nc2ccc(Cl)cc2)nc(-n2c(C)nc3ccccc32)c1
InChIInChI=1S/C25H22ClN5/c1-16-8-9-17(2)30(16)21-14-24(28-20-12-10-19(26)11-13-20)29-25(15-21)31-18(3)27-22-6-4-5-7-23(22)31/h4-15H,1-3H3,(H,28,29)
InChIKeyCKNSELHNXBIAQA-UHFFFAOYSA-N
XLogP6.53
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.94
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(2,5-dimethylpyrrol-1-yl)-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4-(2,5-dimethylpyrrol-1-yl)-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine (CID 118095021) is N-(4-chlorophenyl)-4-(2,5-dimethylpyrrol-1-yl)-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-(2,5-dimethylpyrrol-1-yl)-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-(2,5-dimethylpyrrol-1-yl)-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine is Cc1ccc(C)n1-c1cc(Nc2ccc(Cl)cc2)nc(-n2c(C)nc3ccccc32)c1.
What is the InChIKey of N-(4-chlorophenyl)-4-(2,5-dimethylpyrrol-1-yl)-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine?
The InChIKey is CKNSELHNXBIAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5/c1-16-8-9-17(2)30(16)21-14-24(28-20-12-10-19(26)11-13-20)29-25(15-21)31-18(3)27-22-6-4-5-7-23(22)31/h4-15H,1-3H3,(H,28,29).
What are the key properties of N-(4-chlorophenyl)-4-(2,5-dimethylpyrrol-1-yl)-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine?
N-(4-chlorophenyl)-4-(2,5-dimethylpyrrol-1-yl)-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine has a molecular weight of 427.94 g/mol, XLogP of 6.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(2,5-dimethylpyrrol-1-yl)-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine is sourced from PubChem (CID 118095021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).