N-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide

C14H18N4O — CID 119996977

IUPACN-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide
SMILESCC(CN)CNC(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C14H18N4O/c1-11(7-15)8-17-14(19)13-9-16-10-18(13)12-5-3-2-4-6-12/h2-6,9-11H,7-8,15H2,1H3,(H,17,19)
InChIKeyYMEQOFURHKDVMC-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.20
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide

N-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide (PubChem CID 119996977) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide
PubChem CID119996977
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide
SMILESCC(CN)CNC(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C14H18N4O/c1-11(7-15)8-17-14(19)13-9-16-10-18(13)12-5-3-2-4-6-12/h2-6,9-11H,7-8,15H2,1H3,(H,17,19)
InChIKeyYMEQOFURHKDVMC-UHFFFAOYSA-N
XLogP1.20
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-phenylimidazole-4-carboxamide
CID 47109591
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-phenylimidazole-4-carboxamide
CID 41236053
2-methyl-4-[(3-phenylimidazole-4-carbonyl)amino]butanoic acid
CID 80536971
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylimidazole-4-carboxamide
CID 111451586
methyl (2S)-2-[(3-phenylimidazole-4-carbonyl)amino]propanoate
CID 87040197
N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide
CID 106843413
3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide
CID 30969676
3-phenyl-N-phenylmethoxyimidazole-4-carboxamide
CID 17426431
N-[(2S)-1-hydroxybutan-2-yl]-3-phenylimidazole-4-carboxamide
CID 93033612
7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid
CID 75414767
(2S)-3-hydroxy-2-[(3-phenylimidazole-4-carbonyl)amino]propanoic acid
CID 61153195
3-phenyl-N-[(1-phenylcyclopropyl)methyl]imidazole-4-carboxamide
CID 42145677

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide (CID 119996977) is N-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide is CC(CN)CNC(=O)c1cncn1-c1ccccc1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide?
The InChIKey is YMEQOFURHKDVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11(7-15)8-17-14(19)13-9-16-10-18(13)12-5-3-2-4-6-12/h2-6,9-11H,7-8,15H2,1H3,(H,17,19).
What are the key properties of N-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide?
N-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 119996977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).