N-(3-chloro-4-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide

C22H16Cl3N3O — CID 58562209

IUPACN-(3-chloro-4-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3nc(Cc4c(Cl)cccc4Cl)[nH]c3c2)cc1Cl
InChIInChI=1S/C22H16Cl3N3O/c1-12-5-7-14(10-18(12)25)26-22(29)13-6-8-19-20(9-13)28-21(27-19)11-15-16(23)3-2-4-17(15)24/h2-10H,11H2,1H3,(H,26,29)(H,27,28)
InChIKeyKCLFQJWVUNMYBJ-UHFFFAOYSA-N
MW444.75 g/mol
LogP6.67
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide

N-(3-chloro-4-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 58562209) has the molecular formula C22H16Cl3N3O and a molecular weight of 444.75 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID58562209
Molecular FormulaC22H16Cl3N3O
Molecular Weight444.75 g/mol
Exact Mass443.04
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3nc(Cc4c(Cl)cccc4Cl)[nH]c3c2)cc1Cl
InChIInChI=1S/C22H16Cl3N3O/c1-12-5-7-14(10-18(12)25)26-22(29)13-6-8-19-20(9-13)28-21(27-19)11-15-16(23)3-2-4-17(15)24/h2-10H,11H2,1H3,(H,26,29)(H,27,28)
InChIKeyKCLFQJWVUNMYBJ-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-(3,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 58562173
N-(3-chloro-2-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 58562324
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 58562141
N-(4-chloro-3-fluorophenyl)-2-[(2,6-dichlorophenyl)methyl]-6-methyl-1H-benzimidazole-5-carboxamide
CID 58562458
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328987
N-(1-cyanocyclohexyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 58562311
N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 37032402
N-(3-chloro-4-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17274467
4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328967
4-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328956
N-(3-chloro-4-methylphenyl)-3-(ethylsulfonylamino)benzamide
CID 36805136

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide (CID 58562209) is N-(3-chloro-4-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide is Cc1ccc(NC(=O)c2ccc3nc(Cc4c(Cl)cccc4Cl)[nH]c3c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is KCLFQJWVUNMYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl3N3O/c1-12-5-7-14(10-18(12)25)26-22(29)13-6-8-19-20(9-13)28-21(27-19)11-15-16(23)3-2-4-17(15)24/h2-10H,11H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide?
N-(3-chloro-4-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-4-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 58562209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).