2-[(3-cyclohexylpyridine-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide

C23H23N7O2 — CID 67891553

IUPAC2-[(3-cyclohexylpyridine-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1nc2c(C(=O)Nc3ncc[nH]3)cccc2[nH]1)c1ncccc1C1CCCCC1
InChIInChI=1S/C23H23N7O2/c31-20(29-22-25-12-13-26-22)16-8-4-10-17-18(16)28-23(27-17)30-21(32)19-15(9-5-11-24-19)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H2,25,26,29,31)(H2,27,28,30,32)
InChIKeyFIFIXJORBLCFBL-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.23
Rot. Bonds5

About 2-[(3-cyclohexylpyridine-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide

2-[(3-cyclohexylpyridine-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 67891553) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-[(3-cyclohexylpyridine-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-cyclohexylpyridine-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID67891553
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name2-[(3-cyclohexylpyridine-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1nc2c(C(=O)Nc3ncc[nH]3)cccc2[nH]1)c1ncccc1C1CCCCC1
InChIInChI=1S/C23H23N7O2/c31-20(29-22-25-12-13-26-22)16-8-4-10-17-18(16)28-23(27-17)30-21(32)19-15(9-5-11-24-19)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H2,25,26,29,31)(H2,27,28,30,32)
InChIKeyFIFIXJORBLCFBL-UHFFFAOYSA-N
XLogP4.23
TPSA128.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[(3-cyclohexylpyridine-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclohexylpyridine-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[(3-cyclohexylpyridine-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide (CID 67891553) is 2-[(3-cyclohexylpyridine-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[(3-cyclohexylpyridine-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[(3-cyclohexylpyridine-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide is O=C(Nc1nc2c(C(=O)Nc3ncc[nH]3)cccc2[nH]1)c1ncccc1C1CCCCC1.
What is the InChIKey of 2-[(3-cyclohexylpyridine-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is FIFIXJORBLCFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c31-20(29-22-25-12-13-26-22)16-8-4-10-17-18(16)28-23(27-17)30-21(32)19-15(9-5-11-24-19)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H2,25,26,29,31)(H2,27,28,30,32).
What are the key properties of 2-[(3-cyclohexylpyridine-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide?
2-[(3-cyclohexylpyridine-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 4.23, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclohexylpyridine-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 67891553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).