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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine
CID 118101571
2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine
CID 118101521
2-methyl-1-[2-(2-methylbenzimidazol-1-yl)-6-(2-methylindol-1-yl)-4-pyridinyl]benzimidazole
CID 58625626
N-[4-(difluoromethyl)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine
CID 118101485
N-(4-chlorophenyl)-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;2-N-(4-chlorophenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-(4-fluorophenyl)pyrazin-2-amine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-(4-methylphenyl)pyrazin-2-amine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-phenylpyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine
CID 158012117
6-(5-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094765
4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide
CID 146432635
6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine
CID 118101514
[5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol
CID 118101422
N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)-4-oxidopyrazin-4-ium-2-amine
CID 118095026
1-(2-chloropyrimidin-4-yl)-2-methylbenzimidazole
CID 58979572
6-(2-methylbenzimidazol-1-yl)-N-[3-nitro-4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094532

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).