[2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone

C23H17ClN4O — CID 39071198

IUPAC[2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone
SMILESCc1ccc2nc(-c3c(N)c(C(=O)c4ccc(Cl)cc4)n4ccccc34)[nH]c2c1
InChIInChI=1S/C23H17ClN4O/c1-13-5-10-16-17(12-13)27-23(26-16)19-18-4-2-3-11-28(18)21(20(19)25)22(29)14-6-8-15(24)9-7-14/h2-12H,25H2,1H3,(H,26,27)
InChIKeyAJUYLUANDZHNBL-UHFFFAOYSA-N
MW400.87 g/mol
LogP5.26
Rot. Bonds3

About [2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone

[2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone (PubChem CID 39071198) has the molecular formula C23H17ClN4O and a molecular weight of 400.87 g/mol. Its IUPAC name is [2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone
PubChem CID39071198
Molecular FormulaC23H17ClN4O
Molecular Weight400.87 g/mol
Exact Mass400.11
IUPAC Name[2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone
SMILESCc1ccc2nc(-c3c(N)c(C(=O)c4ccc(Cl)cc4)n4ccccc34)[nH]c2c1
InChIInChI=1S/C23H17ClN4O/c1-13-5-10-16-17(12-13)27-23(26-16)19-18-4-2-3-11-28(18)21(20(19)25)22(29)14-6-8-15(24)9-7-14/h2-12H,25H2,1H3,(H,26,27)
InChIKeyAJUYLUANDZHNBL-UHFFFAOYSA-N
XLogP5.26
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.87
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone 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-(2-(4-Chlorophenyl)-1h-Imidazol-5-Yl)-N,1-Bis(2-Methoxyethyl)-1h-Benzo[d]imidazole-5-Carboxamide
CID 53475688
1-(5-chloro-2-ethylphenyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-2-carboxamide
CID 72737634
1-(5-chloro-2-methylphenyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-2-carboxamide
CID 73056517
1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-2-carboxamide
CID 73057443
(4-{9-(3-Chloro-phenyl)-2-[2-(3H-imidazol-4-yl)-ethylamino]-9H-purin-6-ylamino}-phenyl)-piperidin-1-yl-methanone
CID 24762178
[(2~{R},4~{S})-4-[2-(aminomethyl)imidazol-1-yl]-2-[1-[(4-chlorophenyl)methyl]-5-methyl-indol-2-yl]pyrrolidin-1-yl]-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)methanone
CID 164885926
2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-oxo-1-adamantyl)-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 44436361
(4-chlorophenyl)[1-methyl-5-(1-methyl-1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]methanone
CID 665250
Azsmo-23
CID 1831449
[1-[(4-chlorophenyl)methyl]indol-3-yl]-(3H-imidazo[4,5-c]pyridin-2-yl)methanone
CID 10178250
1-(5-chloro-6-(4-(5-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl)piperazin-1-yl)pyridin-3-yl)ethanone
CID 10477414
3-chloro-N-((1R,2S)-2-(4-(2-((dimethylamino)methyl)-1H-imidazol-1-yl)benzamido)cyclohexyl)-1H-indole-6-carboxamide
CID 11477894

Frequently Asked Questions

What is the IUPAC name of [2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone (CID 39071198) is [2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone is Cc1ccc2nc(-c3c(N)c(C(=O)c4ccc(Cl)cc4)n4ccccc34)[nH]c2c1.
What is the InChIKey of [2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone?
The InChIKey is AJUYLUANDZHNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O/c1-13-5-10-16-17(12-13)27-23(26-16)19-18-4-2-3-11-28(18)21(20(19)25)22(29)14-6-8-15(24)9-7-14/h2-12H,25H2,1H3,(H,26,27).
What are the key properties of [2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone?
[2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone has a molecular weight of 400.87 g/mol, XLogP of 5.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-1-(6-methyl-1H-benzimidazol-2-yl)indolizin-3-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 39071198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).