N-(4-tert-butylphenyl)-5-methyl-1H-imidazole-4-carboxamide

C15H19N3O — CID 110683972

IUPACN-(4-tert-butylphenyl)-5-methyl-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H19N3O/c1-10-13(17-9-16-10)14(19)18-12-7-5-11(6-8-12)15(2,3)4/h5-9H,1-4H3,(H,16,17)(H,18,19)
InChIKeyDLNGZGLSZPIASC-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.27
Rot. Bonds2

About N-(4-tert-butylphenyl)-5-methyl-1H-imidazole-4-carboxamide

N-(4-tert-butylphenyl)-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 110683972) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-methyl-1H-imidazole-4-carboxamide
PubChem CID110683972
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(4-tert-butylphenyl)-5-methyl-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H19N3O/c1-10-13(17-9-16-10)14(19)18-12-7-5-11(6-8-12)15(2,3)4/h5-9H,1-4H3,(H,16,17)(H,18,19)
InChIKeyDLNGZGLSZPIASC-UHFFFAOYSA-N
XLogP3.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide
CID 110683987
N-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110683979
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 127267538
N-(2,5-dimethylphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110683959
2-methyl-3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2-phenylpropanoic acid
CID 154867048
methyl 5-methyl-1H-imidazole-4-carboxylate
CID 587740
N-(4-methylphenyl)-5-nitro-1H-imidazole-4-carboxamide
CID 135513600
N-[4-(5-methyl-1H-imidazol-4-yl)phenyl]benzamide
CID 110735677
methyl 4-[(4-aminophenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 118419349
5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684723
4-(hydrazinecarbonyl)-N-(4-methylphenyl)-1H-imidazole-5-carboxamide
CID 823571
tert-butyl 2-[[4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate
CID 16746593

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-5-methyl-1H-imidazole-4-carboxamide (CID 110683972) is N-(4-tert-butylphenyl)-5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-5-methyl-1H-imidazole-4-carboxamide is Cc1[nH]cnc1C(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is DLNGZGLSZPIASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-13(17-9-16-10)14(19)18-12-7-5-11(6-8-12)15(2,3)4/h5-9H,1-4H3,(H,16,17)(H,18,19).
What are the key properties of N-(4-tert-butylphenyl)-5-methyl-1H-imidazole-4-carboxamide?
N-(4-tert-butylphenyl)-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 110683972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).