N-(2-methyl-2-phenylpropyl)imidazole-1-carboxamide

C14H17N3O — CID 81269387

IUPACN-(2-methyl-2-phenylpropyl)imidazole-1-carboxamide
SMILESCC(C)(CNC(=O)n1ccnc1)c1ccccc1
InChIInChI=1S/C14H17N3O/c1-14(2,12-6-4-3-5-7-12)10-16-13(18)17-9-8-15-11-17/h3-9,11H,10H2,1-2H3,(H,16,18)
InChIKeyVNNWGMDNWABJGE-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.42
Rot. Bonds3

About N-(2-methyl-2-phenylpropyl)imidazole-1-carboxamide

N-(2-methyl-2-phenylpropyl)imidazole-1-carboxamide (PubChem CID 81269387) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(2-methyl-2-phenylpropyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2-phenylpropyl)imidazole-1-carboxamide
PubChem CID81269387
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(2-methyl-2-phenylpropyl)imidazole-1-carboxamide
SMILESCC(C)(CNC(=O)n1ccnc1)c1ccccc1
InChIInChI=1S/C14H17N3O/c1-14(2,12-6-4-3-5-7-12)10-16-13(18)17-9-8-15-11-17/h3-9,11H,10H2,1-2H3,(H,16,18)
InChIKeyVNNWGMDNWABJGE-UHFFFAOYSA-N
XLogP2.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxyphenyl)methyl]imidazole-1-carboxamide
CID 114332839
N-(2-methyl-4-phenylbutan-2-yl)imidazole-1-carboxamide
CID 113472607
N-[(2S)-2-(diethylamino)-2-phenylethyl]imidazole-1-carboxamide
CID 39871151
(2-methyl-2-phenylpropyl)carbamothioic S-acid
CID 115170506
pyridine-2-carboxamide;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide
CID 158186936
2-hydroxy-N-(2-methyl-2-phenylpropyl)acetamide
CID 115140248
1-methyl-3-(2-methyl-2-phenylpropyl)urea
CID 47166668
2-hydroxy-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide
CID 115179031
N-(3-methyl-2-propan-2-ylbutyl)imidazole-1-carboxamide
CID 102908387
N-[1-(4-tert-butylphenyl)ethyl]imidazole-1-carboxamide
CID 81257953
2-(methylamino)-N-(2-methyl-2-phenylpropyl)acetamide
CID 60986486
1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea
CID 110459934

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-phenylpropyl)imidazole-1-carboxamide?
The IUPAC name of N-(2-methyl-2-phenylpropyl)imidazole-1-carboxamide (CID 81269387) is N-(2-methyl-2-phenylpropyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(2-methyl-2-phenylpropyl)imidazole-1-carboxamide?
The canonical SMILES for N-(2-methyl-2-phenylpropyl)imidazole-1-carboxamide is CC(C)(CNC(=O)n1ccnc1)c1ccccc1.
What is the InChIKey of N-(2-methyl-2-phenylpropyl)imidazole-1-carboxamide?
The InChIKey is VNNWGMDNWABJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(2,12-6-4-3-5-7-12)10-16-13(18)17-9-8-15-11-17/h3-9,11H,10H2,1-2H3,(H,16,18).
What are the key properties of N-(2-methyl-2-phenylpropyl)imidazole-1-carboxamide?
N-(2-methyl-2-phenylpropyl)imidazole-1-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-phenylpropyl)imidazole-1-carboxamide is sourced from PubChem (CID 81269387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).