4-amino-8-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide

C22H15ClN6O — CID 71765098

IUPAC4-amino-8-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide
SMILESNC(=O)c1nnc2c(-c3ccc4nc(-c5ccccc5Cl)[nH]c4c3)cccc2c1N
InChIInChI=1S/C22H15ClN6O/c23-15-7-2-1-4-13(15)22-26-16-9-8-11(10-17(16)27-22)12-5-3-6-14-18(24)20(21(25)30)29-28-19(12)14/h1-10H,(H2,24,28)(H2,25,30)(H,26,27)
InChIKeyPGVCLJSBPDCNLF-UHFFFAOYSA-N
MW414.86 g/mol
LogP4.17
Rot. Bonds3

About 4-amino-8-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide

4-amino-8-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide (PubChem CID 71765098) has the molecular formula C22H15ClN6O and a molecular weight of 414.86 g/mol. Its IUPAC name is 4-amino-8-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide
PubChem CID71765098
Molecular FormulaC22H15ClN6O
Molecular Weight414.86 g/mol
Exact Mass414.10
IUPAC Name4-amino-8-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide
SMILESNC(=O)c1nnc2c(-c3ccc4nc(-c5ccccc5Cl)[nH]c4c3)cccc2c1N
InChIInChI=1S/C22H15ClN6O/c23-15-7-2-1-4-13(15)22-26-16-9-8-11(10-17(16)27-22)12-5-3-6-14-18(24)20(21(25)30)29-28-19(12)14/h1-10H,(H2,24,28)(H2,25,30)(H,26,27)
InChIKeyPGVCLJSBPDCNLF-UHFFFAOYSA-N
XLogP4.17
TPSA123.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.86
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-amino-8-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide 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

4-amino-8-(2-anilino-3H-benzimidazol-5-yl)cinnoline-3-carboxamide
CID 71765222
4-amino-8-[2-(2,2-dimethylpropyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide
CID 71765095
6-bromo-2-(2-chlorophenyl)-1H-benzimidazole
CID 64723542
2-(2-chlorophenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690291
prop-2-enyl 2-(2-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 91673705
2-[6-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol
CID 159684416
2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
CID 43349288
prop-2-ynyl 2-(5-chloronaphthalen-1-yl)-3H-benzimidazole-5-carboxylate
CID 91673783
2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)aniline
CID 107049937
2-chloro-6-(5,6-difluoro-1H-benzimidazol-2-yl)aniline
CID 107049774
2-(2-phenylphenyl)-3H-benzimidazol-5-amine
CID 11150323
2-(2-chlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 136781372

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide (CID 71765098) is 4-amino-8-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide is NC(=O)c1nnc2c(-c3ccc4nc(-c5ccccc5Cl)[nH]c4c3)cccc2c1N.
What is the InChIKey of 4-amino-8-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide?
The InChIKey is PGVCLJSBPDCNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN6O/c23-15-7-2-1-4-13(15)22-26-16-9-8-11(10-17(16)27-22)12-5-3-6-14-18(24)20(21(25)30)29-28-19(12)14/h1-10H,(H2,24,28)(H2,25,30)(H,26,27).
What are the key properties of 4-amino-8-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide?
4-amino-8-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide has a molecular weight of 414.86 g/mol, XLogP of 4.17, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-[2-(2-chlorophenyl)-3H-benzimidazol-5-yl]cinnoline-3-carboxamide is sourced from PubChem (CID 71765098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).