N-cyclohexyl-N-methyl-4-(3-methylphenyl)imidazole-1-carboxamide

C18H23N3O — CID 66714003

IUPACN-cyclohexyl-N-methyl-4-(3-methylphenyl)imidazole-1-carboxamide
SMILESCc1cccc(-c2cn(C(=O)N(C)C3CCCCC3)cn2)c1
InChIInChI=1S/C18H23N3O/c1-14-7-6-8-15(11-14)17-12-21(13-19-17)18(22)20(2)16-9-4-3-5-10-16/h6-8,11-13,16H,3-5,9-10H2,1-2H3
InChIKeyNDSYTXKZMYSLPE-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.09
Rot. Bonds2

About N-cyclohexyl-N-methyl-4-(3-methylphenyl)imidazole-1-carboxamide

N-cyclohexyl-N-methyl-4-(3-methylphenyl)imidazole-1-carboxamide (PubChem CID 66714003) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-(3-methylphenyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-(3-methylphenyl)imidazole-1-carboxamide
PubChem CID66714003
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-cyclohexyl-N-methyl-4-(3-methylphenyl)imidazole-1-carboxamide
SMILESCc1cccc(-c2cn(C(=O)N(C)C3CCCCC3)cn2)c1
InChIInChI=1S/C18H23N3O/c1-14-7-6-8-15(11-14)17-12-21(13-19-17)18(22)20(2)16-9-4-3-5-10-16/h6-8,11-13,16H,3-5,9-10H2,1-2H3
InChIKeyNDSYTXKZMYSLPE-UHFFFAOYSA-N
XLogP4.09
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-(3-methylphenyl)imidazole-1-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-(3-methylphenyl)imidazole-1-carboxamide (CID 66714003) is N-cyclohexyl-N-methyl-4-(3-methylphenyl)imidazole-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-(3-methylphenyl)imidazole-1-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-(3-methylphenyl)imidazole-1-carboxamide is Cc1cccc(-c2cn(C(=O)N(C)C3CCCCC3)cn2)c1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-(3-methylphenyl)imidazole-1-carboxamide?
The InChIKey is NDSYTXKZMYSLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14-7-6-8-15(11-14)17-12-21(13-19-17)18(22)20(2)16-9-4-3-5-10-16/h6-8,11-13,16H,3-5,9-10H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-4-(3-methylphenyl)imidazole-1-carboxamide?
N-cyclohexyl-N-methyl-4-(3-methylphenyl)imidazole-1-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-(3-methylphenyl)imidazole-1-carboxamide is sourced from PubChem (CID 66714003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).