N-cyclohexyl-1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxamide

C25H29N3O — CID 10134835

IUPACN-cyclohexyl-1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NC3CCCCC3)n(C)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C25H29N3O/c1-17-9-13-19(14-10-17)22-23(20-15-11-18(2)12-16-20)28(3)24(27-22)25(29)26-21-7-5-4-6-8-21/h9-16,21H,4-8H2,1-3H3,(H,26,29)
InChIKeyZXRHTIKQXHNMFB-UHFFFAOYSA-N
MW387.53 g/mol
LogP5.43
Rot. Bonds4

About N-cyclohexyl-1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxamide

N-cyclohexyl-1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxamide (PubChem CID 10134835) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is N-cyclohexyl-1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxamide
PubChem CID10134835
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC NameN-cyclohexyl-1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NC3CCCCC3)n(C)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C25H29N3O/c1-17-9-13-19(14-10-17)22-23(20-15-11-18(2)12-16-20)28(3)24(27-22)25(29)26-21-7-5-4-6-8-21/h9-16,21H,4-8H2,1-3H3,(H,26,29)
InChIKeyZXRHTIKQXHNMFB-UHFFFAOYSA-N
XLogP5.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxamide?
The IUPAC name of N-cyclohexyl-1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxamide (CID 10134835) is N-cyclohexyl-1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxamide?
The canonical SMILES for N-cyclohexyl-1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxamide is Cc1ccc(-c2nc(C(=O)NC3CCCCC3)n(C)c2-c2ccc(C)cc2)cc1.
What is the InChIKey of N-cyclohexyl-1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxamide?
The InChIKey is ZXRHTIKQXHNMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-17-9-13-19(14-10-17)22-23(20-15-11-18(2)12-16-20)28(3)24(27-22)25(29)26-21-7-5-4-6-8-21/h9-16,21H,4-8H2,1-3H3,(H,26,29).
What are the key properties of N-cyclohexyl-1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxamide?
N-cyclohexyl-1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxamide is sourced from PubChem (CID 10134835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).