N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(5-oxohexyl)benzimidazole-5-carboxamide

C25H22Cl3N5O2 — CID 58562411

IUPACN-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(5-oxohexyl)benzimidazole-5-carboxamide
SMILESCC(=O)CCCCn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)Nc3cc(Cl)ccn3)ccc21
InChIInChI=1S/C25H22Cl3N5O2/c1-15(34)5-2-3-12-33-21-9-8-16(24(35)31-22-14-17(26)10-11-29-22)13-20(21)30-25(33)32-23-18(27)6-4-7-19(23)28/h4,6-11,13-14H,2-3,5,12H2,1H3,(H,30,32)(H,29,31,35)
InChIKeyRUHLZOROISZJBM-UHFFFAOYSA-N
MW530.84 g/mol
LogP7.15
Rot. Bonds9

About N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(5-oxohexyl)benzimidazole-5-carboxamide

N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(5-oxohexyl)benzimidazole-5-carboxamide (PubChem CID 58562411) has the molecular formula C25H22Cl3N5O2 and a molecular weight of 530.84 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(5-oxohexyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(5-oxohexyl)benzimidazole-5-carboxamide
PubChem CID58562411
Molecular FormulaC25H22Cl3N5O2
Molecular Weight530.84 g/mol
Exact Mass529.08
IUPAC NameN-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(5-oxohexyl)benzimidazole-5-carboxamide
SMILESCC(=O)CCCCn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)Nc3cc(Cl)ccn3)ccc21
InChIInChI=1S/C25H22Cl3N5O2/c1-15(34)5-2-3-12-33-21-9-8-16(24(35)31-22-14-17(26)10-11-29-22)13-20(21)30-25(33)32-23-18(27)6-4-7-19(23)28/h4,6-11,13-14H,2-3,5,12H2,1H3,(H,30,32)(H,29,31,35)
InChIKeyRUHLZOROISZJBM-UHFFFAOYSA-N
XLogP7.15
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.84
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(3-methoxypropyl)benzimidazole-5-carboxamide
CID 58562336
N-(4-tert-butyl-2-pyridinyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide
CID 58562138
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465
N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide;cyclobutanamine
CID 143961942
2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzimidazole-5-carboxamide
CID 45137150
5-(5-chloro-2-methylbenzimidazol-1-yl)pentan-2-one
CID 167596718
2-(2,6-dichloroanilino)-1-methyl-N-(1-methylcyclohexyl)benzimidazole-5-carboxamide
CID 58562143
3-bromo-4-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 113330232
2-[(4-chlorobenzoyl)amino]-N-cyclohexyl-N-methyl-1-(3-oxobutyl)benzimidazole-5-carboxamide
CID 59083099
2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxylic acid;methyl 2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxylate
CID 162200376
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 4800861
1-ethyl-3-methyl-N-(4-methyl-2-pyridinyl)-2-oxoquinoxaline-6-carboxamide
CID 35029668

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(5-oxohexyl)benzimidazole-5-carboxamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(5-oxohexyl)benzimidazole-5-carboxamide (CID 58562411) is N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(5-oxohexyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(5-oxohexyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(5-oxohexyl)benzimidazole-5-carboxamide is CC(=O)CCCCn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)Nc3cc(Cl)ccn3)ccc21.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(5-oxohexyl)benzimidazole-5-carboxamide?
The InChIKey is RUHLZOROISZJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl3N5O2/c1-15(34)5-2-3-12-33-21-9-8-16(24(35)31-22-14-17(26)10-11-29-22)13-20(21)30-25(33)32-23-18(27)6-4-7-19(23)28/h4,6-11,13-14H,2-3,5,12H2,1H3,(H,30,32)(H,29,31,35).
What are the key properties of N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(5-oxohexyl)benzimidazole-5-carboxamide?
N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(5-oxohexyl)benzimidazole-5-carboxamide has a molecular weight of 530.84 g/mol, XLogP of 7.15, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(5-oxohexyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 58562411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).