N-ethyl-3-phenylimidazole-4-carboxamide

C12H13N3O — CID 47109591

IUPACN-ethyl-3-phenylimidazole-4-carboxamide
SMILESCCNC(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C12H13N3O/c1-2-14-12(16)11-8-13-9-15(11)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,14,16)
InChIKeyHDNBIOLRUAFGHJ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.62
Rot. Bonds3

About N-ethyl-3-phenylimidazole-4-carboxamide

N-ethyl-3-phenylimidazole-4-carboxamide (PubChem CID 47109591) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-ethyl-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-phenylimidazole-4-carboxamide
PubChem CID47109591
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-ethyl-3-phenylimidazole-4-carboxamide
SMILESCCNC(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C12H13N3O/c1-2-14-12(16)11-8-13-9-15(11)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,14,16)
InChIKeyHDNBIOLRUAFGHJ-UHFFFAOYSA-N
XLogP1.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide
CID 119996977
N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide
CID 106843413
2-methyl-4-[(3-phenylimidazole-4-carbonyl)amino]butanoic acid
CID 80536971
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-phenylimidazole-4-carboxamide
CID 41236053
7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid
CID 75414767
N-[(2S)-1-hydroxybutan-2-yl]-3-phenylimidazole-4-carboxamide
CID 93033612
(2S)-3-hydroxy-2-[(3-phenylimidazole-4-carbonyl)amino]propanoic acid
CID 61153195
3-phenyl-N-[(1-phenylcyclopropyl)methyl]imidazole-4-carboxamide
CID 42145677
N'-(4-ethylbenzoyl)-3-phenylimidazole-4-carbohydrazide
CID 30507763
N-[(3-methylthiophen-2-yl)methyl]-3-phenylimidazole-4-carboxamide
CID 32987382
N-[(1R,2R)-2-ethylcyclopropyl]-3-phenylimidazole-4-carboxamide
CID 100656473
3-phenyl-N-phenylmethoxyimidazole-4-carboxamide
CID 17426431

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-ethyl-3-phenylimidazole-4-carboxamide (CID 47109591) is N-ethyl-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-ethyl-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-ethyl-3-phenylimidazole-4-carboxamide is CCNC(=O)c1cncn1-c1ccccc1.
What is the InChIKey of N-ethyl-3-phenylimidazole-4-carboxamide?
The InChIKey is HDNBIOLRUAFGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-14-12(16)11-8-13-9-15(11)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,14,16).
What are the key properties of N-ethyl-3-phenylimidazole-4-carboxamide?
N-ethyl-3-phenylimidazole-4-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 47109591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).