N-(2-methyl-4-phenylbutan-2-yl)imidazole-1-carboxamide

C15H19N3O — CID 113472607

IUPACN-(2-methyl-4-phenylbutan-2-yl)imidazole-1-carboxamide
SMILESCC(C)(CCc1ccccc1)NC(=O)n1ccnc1
InChIInChI=1S/C15H19N3O/c1-15(2,9-8-13-6-4-3-5-7-13)17-14(19)18-11-10-16-12-18/h3-7,10-12H,8-9H2,1-2H3,(H,17,19)
InChIKeyQAKBWZMWXLJGDU-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.85
Rot. Bonds4

About N-(2-methyl-4-phenylbutan-2-yl)imidazole-1-carboxamide

N-(2-methyl-4-phenylbutan-2-yl)imidazole-1-carboxamide (PubChem CID 113472607) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2-methyl-4-phenylbutan-2-yl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-phenylbutan-2-yl)imidazole-1-carboxamide
PubChem CID113472607
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(2-methyl-4-phenylbutan-2-yl)imidazole-1-carboxamide
SMILESCC(C)(CCc1ccccc1)NC(=O)n1ccnc1
InChIInChI=1S/C15H19N3O/c1-15(2,9-8-13-6-4-3-5-7-13)17-14(19)18-11-10-16-12-18/h3-7,10-12H,8-9H2,1-2H3,(H,17,19)
InChIKeyQAKBWZMWXLJGDU-UHFFFAOYSA-N
XLogP2.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenylethyl imidazole-1-carboxylate
CID 15371420
2-[(2-methyl-4-phenylbutan-2-yl)amino]-2-oxoacetic acid
CID 82129385
N-(2-methyl-2-phenylpropyl)imidazole-1-carboxamide
CID 81269387
1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol
CID 22762802
N-(1-hydroxy-3-methylpentan-3-yl)imidazole-1-carboxamide
CID 106178294
N'-(3-phenylpropyl)imidazole-1-carboximidamide
CID 11128056
2-(cyclopropylmethylamino)-N-(2-methyl-4-phenylbutan-2-yl)acetamide;hydrochloride
CID 119772417
(2S)-2-amino-4-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 103832792
2-amino-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 115734086
(2S)-2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)butanamide
CID 104863039
hydron;imidazol-1-yl(phenyl)methanone
CID 131844425
[4-[4-(aminomethyl)phenyl]-2-methylbutan-2-yl]carbamic acid
CID 174694781

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-phenylbutan-2-yl)imidazole-1-carboxamide?
The IUPAC name of N-(2-methyl-4-phenylbutan-2-yl)imidazole-1-carboxamide (CID 113472607) is N-(2-methyl-4-phenylbutan-2-yl)imidazole-1-carboxamide.
What is the SMILES notation for N-(2-methyl-4-phenylbutan-2-yl)imidazole-1-carboxamide?
The canonical SMILES for N-(2-methyl-4-phenylbutan-2-yl)imidazole-1-carboxamide is CC(C)(CCc1ccccc1)NC(=O)n1ccnc1.
What is the InChIKey of N-(2-methyl-4-phenylbutan-2-yl)imidazole-1-carboxamide?
The InChIKey is QAKBWZMWXLJGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2,9-8-13-6-4-3-5-7-13)17-14(19)18-11-10-16-12-18/h3-7,10-12H,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-(2-methyl-4-phenylbutan-2-yl)imidazole-1-carboxamide?
N-(2-methyl-4-phenylbutan-2-yl)imidazole-1-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-phenylbutan-2-yl)imidazole-1-carboxamide is sourced from PubChem (CID 113472607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).