4,5-bis(4-chlorophenyl)-N-cyclohexyl-1-methylimidazole-2-carboxamide

C23H23Cl2N3O — CID 10202808

IUPAC4,5-bis(4-chlorophenyl)-N-cyclohexyl-1-methylimidazole-2-carboxamide
SMILESCn1c(C(=O)NC2CCCCC2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H23Cl2N3O/c1-28-21(16-9-13-18(25)14-10-16)20(15-7-11-17(24)12-8-15)27-22(28)23(29)26-19-5-3-2-4-6-19/h7-14,19H,2-6H2,1H3,(H,26,29)
InChIKeyBTDIHKGECPRTAF-UHFFFAOYSA-N
MW428.36 g/mol
LogP6.12
Rot. Bonds4

About 4,5-bis(4-chlorophenyl)-N-cyclohexyl-1-methylimidazole-2-carboxamide

4,5-bis(4-chlorophenyl)-N-cyclohexyl-1-methylimidazole-2-carboxamide (PubChem CID 10202808) has the molecular formula C23H23Cl2N3O and a molecular weight of 428.36 g/mol. Its IUPAC name is 4,5-bis(4-chlorophenyl)-N-cyclohexyl-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound Name4,5-bis(4-chlorophenyl)-N-cyclohexyl-1-methylimidazole-2-carboxamide
PubChem CID10202808
Molecular FormulaC23H23Cl2N3O
Molecular Weight428.36 g/mol
Exact Mass427.12
IUPAC Name4,5-bis(4-chlorophenyl)-N-cyclohexyl-1-methylimidazole-2-carboxamide
SMILESCn1c(C(=O)NC2CCCCC2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H23Cl2N3O/c1-28-21(16-9-13-18(25)14-10-16)20(15-7-11-17(24)12-8-15)27-22(28)23(29)26-19-5-3-2-4-6-19/h7-14,19H,2-6H2,1H3,(H,26,29)
InChIKeyBTDIHKGECPRTAF-UHFFFAOYSA-N
XLogP6.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.36
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4,5-bis(4-chlorophenyl)-1-methylimidazol-2-yl]-piperidin-1-ylmethanone
CID 10273200
8-chloro-2,3-bis(4-chlorophenyl)-N-cyclobutylimidazo[1,2-a]pyridine-6-carboxamide
CID 91478577
5-(4-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide
CID 17252724
3-(4-chlorophenyl)-N-cyclohexyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
CID 163091019
3-(4-chlorophenyl)-N-cyclohexyl-1-(2-methylpropyl)-6-oxo-5-phenylpyrazine-2-carboxamide
CID 101258247
8-bromo-2,3-bis(4-chlorophenyl)-N-cyclopropylimidazo[1,2-a]pyridine-6-carboxamide
CID 24742969
5-(4-chlorophenyl)-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide
CID 110391563
4-(4-chlorophenyl)-N-cyclohexyl-5-(2,4-dichlorophenyl)triazole-2-carboxamide
CID 44571382
3-(4-chlorophenyl)-N-cyclopentyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
CID 162800200
2-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]-N-cyclohexylacetamide
CID 69293752
N-cyclohexyl-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393860
5-(4-chlorophenyl)-N-cyclopentyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 23652123

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-chlorophenyl)-N-cyclohexyl-1-methylimidazole-2-carboxamide?
The IUPAC name of 4,5-bis(4-chlorophenyl)-N-cyclohexyl-1-methylimidazole-2-carboxamide (CID 10202808) is 4,5-bis(4-chlorophenyl)-N-cyclohexyl-1-methylimidazole-2-carboxamide.
What is the SMILES notation for 4,5-bis(4-chlorophenyl)-N-cyclohexyl-1-methylimidazole-2-carboxamide?
The canonical SMILES for 4,5-bis(4-chlorophenyl)-N-cyclohexyl-1-methylimidazole-2-carboxamide is Cn1c(C(=O)NC2CCCCC2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4,5-bis(4-chlorophenyl)-N-cyclohexyl-1-methylimidazole-2-carboxamide?
The InChIKey is BTDIHKGECPRTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O/c1-28-21(16-9-13-18(25)14-10-16)20(15-7-11-17(24)12-8-15)27-22(28)23(29)26-19-5-3-2-4-6-19/h7-14,19H,2-6H2,1H3,(H,26,29).
What are the key properties of 4,5-bis(4-chlorophenyl)-N-cyclohexyl-1-methylimidazole-2-carboxamide?
4,5-bis(4-chlorophenyl)-N-cyclohexyl-1-methylimidazole-2-carboxamide has a molecular weight of 428.36 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-chlorophenyl)-N-cyclohexyl-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 10202808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).