2-(2,6-dichloroanilino)-1-methyl-N-(1-methylcyclohexyl)benzimidazole-5-carboxamide

C22H24Cl2N4O — CID 58562143

IUPAC2-(2,6-dichloroanilino)-1-methyl-N-(1-methylcyclohexyl)benzimidazole-5-carboxamide
SMILESCn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)NC3(C)CCCCC3)ccc21
InChIInChI=1S/C22H24Cl2N4O/c1-22(11-4-3-5-12-22)27-20(29)14-9-10-18-17(13-14)25-21(28(18)2)26-19-15(23)7-6-8-16(19)24/h6-10,13H,3-5,11-12H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyUGRGYFFZXYFKCE-UHFFFAOYSA-N
MW431.37 g/mol
LogP6.08
Rot. Bonds4

About 2-(2,6-dichloroanilino)-1-methyl-N-(1-methylcyclohexyl)benzimidazole-5-carboxamide

2-(2,6-dichloroanilino)-1-methyl-N-(1-methylcyclohexyl)benzimidazole-5-carboxamide (PubChem CID 58562143) has the molecular formula C22H24Cl2N4O and a molecular weight of 431.37 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-1-methyl-N-(1-methylcyclohexyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-1-methyl-N-(1-methylcyclohexyl)benzimidazole-5-carboxamide
PubChem CID58562143
Molecular FormulaC22H24Cl2N4O
Molecular Weight431.37 g/mol
Exact Mass430.13
IUPAC Name2-(2,6-dichloroanilino)-1-methyl-N-(1-methylcyclohexyl)benzimidazole-5-carboxamide
SMILESCn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)NC3(C)CCCCC3)ccc21
InChIInChI=1S/C22H24Cl2N4O/c1-22(11-4-3-5-12-22)27-20(29)14-9-10-18-17(13-14)25-21(28(18)2)26-19-15(23)7-6-8-16(19)24/h6-10,13H,3-5,11-12H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyUGRGYFFZXYFKCE-UHFFFAOYSA-N
XLogP6.08
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.37
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxylic acid;methyl 2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxylate
CID 162200376
N-(4-tert-butyl-2-pyridinyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide
CID 58562138
N-cyclohexyl-2-(2,6-dichloroanilino)-3-methylimidazo[4,5-c]pyridine-6-carboxamide
CID 45138122
3-chloro-4-iodo-N-(1-methylcyclohexyl)benzamide
CID 103222033
N-(4-bromophenyl)-2-(2,6-dimethylanilino)-1-methylbenzimidazole-5-carboxamide
CID 58562326
N-[(1-hydroxycyclopentyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 111332930
N-cyclohexyl-2-(2,6-dichloroanilino)-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide
CID 143962077
7-bromo-N-(3-chlorophenyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide
CID 58562302
CID 89078169
CID 89078169
(E)-3-[2-chloro-4-[(1-methylcyclopentyl)carbamoyl]phenyl]prop-2-enoic acid
CID 81295028
N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(5-oxohexyl)benzimidazole-5-carboxamide
CID 58562411
N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(3-methoxypropyl)benzimidazole-5-carboxamide
CID 58562336

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-1-methyl-N-(1-methylcyclohexyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-1-methyl-N-(1-methylcyclohexyl)benzimidazole-5-carboxamide (CID 58562143) is 2-(2,6-dichloroanilino)-1-methyl-N-(1-methylcyclohexyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-1-methyl-N-(1-methylcyclohexyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-1-methyl-N-(1-methylcyclohexyl)benzimidazole-5-carboxamide is Cn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)NC3(C)CCCCC3)ccc21.
What is the InChIKey of 2-(2,6-dichloroanilino)-1-methyl-N-(1-methylcyclohexyl)benzimidazole-5-carboxamide?
The InChIKey is UGRGYFFZXYFKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O/c1-22(11-4-3-5-12-22)27-20(29)14-9-10-18-17(13-14)25-21(28(18)2)26-19-15(23)7-6-8-16(19)24/h6-10,13H,3-5,11-12H2,1-2H3,(H,25,26)(H,27,29).
What are the key properties of 2-(2,6-dichloroanilino)-1-methyl-N-(1-methylcyclohexyl)benzimidazole-5-carboxamide?
2-(2,6-dichloroanilino)-1-methyl-N-(1-methylcyclohexyl)benzimidazole-5-carboxamide has a molecular weight of 431.37 g/mol, XLogP of 6.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-1-methyl-N-(1-methylcyclohexyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 58562143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).