N-(3-chloro-2-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide

C22H16Cl3N3O — CID 58562324

IUPACN-(3-chloro-2-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc2nc(Cc3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C22H16Cl3N3O/c1-12-15(23)4-3-7-18(12)28-22(29)13-8-9-19-20(10-13)27-21(26-19)11-14-16(24)5-2-6-17(14)25/h2-10H,11H2,1H3,(H,26,27)(H,28,29)
InChIKeyLMJGYNULFDHBMR-UHFFFAOYSA-N
MW444.75 g/mol
LogP6.67
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide

N-(3-chloro-2-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 58562324) has the molecular formula C22H16Cl3N3O and a molecular weight of 444.75 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID58562324
Molecular FormulaC22H16Cl3N3O
Molecular Weight444.75 g/mol
Exact Mass443.04
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc2nc(Cc3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C22H16Cl3N3O/c1-12-15(23)4-3-7-18(12)28-22(29)13-8-9-19-20(10-13)27-21(26-19)11-14-16(24)5-2-6-17(14)25/h2-10H,11H2,1H3,(H,26,27)(H,28,29)
InChIKeyLMJGYNULFDHBMR-UHFFFAOYSA-N
XLogP6.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.75
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 58562209
N-(3,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 58562173
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 58562141
N-(3-chloro-2-methylphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)propanamide
CID 7450193
2-[2-(4-acetamidophenyl)ethyl]-N-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 50789590
N-(1-cyanocyclohexyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 58562311
2-amino-N-(3-chloro-2-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60635946
N-(4-chloro-3-fluorophenyl)-2-[(2,6-dichlorophenyl)methyl]-6-methyl-1H-benzimidazole-5-carboxamide
CID 58562458
N-(2-carbamoylphenyl)-2-ethyl-3H-benzimidazole-5-carboxamide
CID 110765583
3-carbamothioyl-N-(3-chloro-2-methylphenyl)benzamide
CID 29302193
N-(3-chloro-2-methylphenyl)-4-ethylbenzamide
CID 2671399
2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 66965567

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide (CID 58562324) is N-(3-chloro-2-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide is Cc1c(Cl)cccc1NC(=O)c1ccc2nc(Cc3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is LMJGYNULFDHBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl3N3O/c1-12-15(23)4-3-7-18(12)28-22(29)13-8-9-19-20(10-13)27-21(26-19)11-14-16(24)5-2-6-17(14)25/h2-10H,11H2,1H3,(H,26,27)(H,28,29).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide?
N-(3-chloro-2-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 444.75 g/mol, XLogP of 6.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 58562324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).