7-bromo-N-(3-chlorophenyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide

C21H14BrCl3N4O — CID 58562302

IUPAC7-bromo-N-(3-chlorophenyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide
SMILESCn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)Nc3cccc(Cl)c3)cc(Br)c21
InChIInChI=1S/C21H14BrCl3N4O/c1-29-19-14(22)8-11(20(30)26-13-5-2-4-12(23)10-13)9-17(19)27-21(29)28-18-15(24)6-3-7-16(18)25/h2-10H,1H3,(H,26,30)(H,27,28)
InChIKeyKDTAUXIGXMLMBV-UHFFFAOYSA-N
MW524.63 g/mol
LogP7.29
Rot. Bonds4

About 7-bromo-N-(3-chlorophenyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide

7-bromo-N-(3-chlorophenyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide (PubChem CID 58562302) has the molecular formula C21H14BrCl3N4O and a molecular weight of 524.63 g/mol. Its IUPAC name is 7-bromo-N-(3-chlorophenyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-bromo-N-(3-chlorophenyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide
PubChem CID58562302
Molecular FormulaC21H14BrCl3N4O
Molecular Weight524.63 g/mol
Exact Mass521.94
IUPAC Name7-bromo-N-(3-chlorophenyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide
SMILESCn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)Nc3cccc(Cl)c3)cc(Br)c21
InChIInChI=1S/C21H14BrCl3N4O/c1-29-19-14(22)8-11(20(30)26-13-5-2-4-12(23)10-13)9-17(19)27-21(29)28-18-15(24)6-3-7-16(18)25/h2-10H,1H3,(H,26,30)(H,27,28)
InChIKeyKDTAUXIGXMLMBV-UHFFFAOYSA-N
XLogP7.29
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.63
LogP ≤ 57.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 89078169
CID 89078169
N-(3-chlorophenyl)-2-(2,6-dichloroanilino)pyrimidine-5-carboxamide
CID 109268750
N-(4-tert-butyl-2-pyridinyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide
CID 58562138
2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100836
4-amino-3,5-dichloro-N-(3-chlorophenyl)benzamide
CID 82832479
2-(2,6-dichloroanilino)-1-methyl-N-(1-methylcyclohexyl)benzimidazole-5-carboxamide
CID 58562143
N-(4-bromophenyl)-2-(2,6-dimethylanilino)-1-methylbenzimidazole-5-carboxamide
CID 58562326
N-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 45138811
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268705

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(3-chlorophenyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of 7-bromo-N-(3-chlorophenyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide (CID 58562302) is 7-bromo-N-(3-chlorophenyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 7-bromo-N-(3-chlorophenyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 7-bromo-N-(3-chlorophenyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide is Cn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)Nc3cccc(Cl)c3)cc(Br)c21.
What is the InChIKey of 7-bromo-N-(3-chlorophenyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide?
The InChIKey is KDTAUXIGXMLMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrCl3N4O/c1-29-19-14(22)8-11(20(30)26-13-5-2-4-12(23)10-13)9-17(19)27-21(29)28-18-15(24)6-3-7-16(18)25/h2-10H,1H3,(H,26,30)(H,27,28).
What are the key properties of 7-bromo-N-(3-chlorophenyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide?
7-bromo-N-(3-chlorophenyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide has a molecular weight of 524.63 g/mol, XLogP of 7.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(3-chlorophenyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 58562302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).