N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide

C26H17Cl2N5O2 — CID 20694978

IUPACN-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccc(NC(=O)c4c(Cl)cccc4Cl)cc3[nH]2)cc1)c1cccnc1
InChIInChI=1S/C26H17Cl2N5O2/c27-19-4-1-5-20(28)23(19)26(35)31-18-10-11-21-22(13-18)33-24(32-21)15-6-8-17(9-7-15)30-25(34)16-3-2-12-29-14-16/h1-14H,(H,30,34)(H,31,35)(H,32,33)
InChIKeyAKCGYKRIGDMCBQ-UHFFFAOYSA-N
MW502.36 g/mol
LogP6.44
Rot. Bonds5

About N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide

N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide (PubChem CID 20694978) has the molecular formula C26H17Cl2N5O2 and a molecular weight of 502.36 g/mol. Its IUPAC name is N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide
PubChem CID20694978
Molecular FormulaC26H17Cl2N5O2
Molecular Weight502.36 g/mol
Exact Mass501.08
IUPAC NameN-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccc(NC(=O)c4c(Cl)cccc4Cl)cc3[nH]2)cc1)c1cccnc1
InChIInChI=1S/C26H17Cl2N5O2/c27-19-4-1-5-20(28)23(19)26(35)31-18-10-11-21-22(13-18)33-24(32-21)15-6-8-17(9-7-15)30-25(34)16-3-2-12-29-14-16/h1-14H,(H,30,34)(H,31,35)(H,32,33)
InChIKeyAKCGYKRIGDMCBQ-UHFFFAOYSA-N
XLogP6.44
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.36
LogP ≤ 56.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]pyridine-3-carboxamide;N-[2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide;2,6-dichloro-N-[4-[6-[(2,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;2,6-dichloro-N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;2,6-dichloro-N-[4-[6-[(3,5-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;2,6-dichloro-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;methane
CID 159927674
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808
5-chloro-N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]thiophene-3-carboxamide
CID 155963164
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
CID 20694943
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;2,4-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide;3,5-dichloro-N-[2-[4-[(4-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide;N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;N-[2-[4-[(4-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]pyridine-3-carboxamide
CID 158419621
methyl 4-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)carbamoyl]benzoate
CID 3153966
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-4-chlorobenzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-2,4-dichlorobenzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-2,6-dichlorobenzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]pyridine-3-carboxamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide;N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 158247267
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide
CID 20695031
4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide
CID 142812719
N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-4-chlorobenzamide;N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide;4-chloro-N-[4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide;N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]benzamide;2,4-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide
CID 160911401

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide (CID 20694978) is N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4c(Cl)cccc4Cl)cc3[nH]2)cc1)c1cccnc1.
What is the InChIKey of N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is AKCGYKRIGDMCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl2N5O2/c27-19-4-1-5-20(28)23(19)26(35)31-18-10-11-21-22(13-18)33-24(32-21)15-6-8-17(9-7-15)30-25(34)16-3-2-12-29-14-16/h1-14H,(H,30,34)(H,31,35)(H,32,33).
What are the key properties of N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide?
N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 502.36 g/mol, XLogP of 6.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 20694978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).