5-methyl-N-(2-phenylethyl)-4,5-dihydro-1H-imidazole-2-carboxamide

C13H17N3O — CID 91902231

IUPAC5-methyl-N-(2-phenylethyl)-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCC1CN=C(C(=O)NCCc2ccccc2)N1
InChIInChI=1S/C13H17N3O/c1-10-9-15-12(16-10)13(17)14-8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,17)(H,15,16)
InChIKeyCVDLLYCEZUNFBX-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.74
Rot. Bonds4

About 5-methyl-N-(2-phenylethyl)-4,5-dihydro-1H-imidazole-2-carboxamide

5-methyl-N-(2-phenylethyl)-4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 91902231) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-methyl-N-(2-phenylethyl)-4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-phenylethyl)-4,5-dihydro-1H-imidazole-2-carboxamide
PubChem CID91902231
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-methyl-N-(2-phenylethyl)-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCC1CN=C(C(=O)NCCc2ccccc2)N1
InChIInChI=1S/C13H17N3O/c1-10-9-15-12(16-10)13(17)14-8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,17)(H,15,16)
InChIKeyCVDLLYCEZUNFBX-UHFFFAOYSA-N
XLogP0.74
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-methyl-N-(2-phenylethyl)-4,5-dihydro-1H-imidazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-hydroxypropyl)-5-methyl-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91902240
4,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 110852276
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109250857
1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 4930342
(5R)-5-methyl-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 29056649
6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109113164
(3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961382
trans-(1R,2R)-2-(2-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 795950
4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 59396553
(1S,6S)-3,4-dimethyl-6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 841445
4-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 140824522

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-phenylethyl)-4,5-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of 5-methyl-N-(2-phenylethyl)-4,5-dihydro-1H-imidazole-2-carboxamide (CID 91902231) is 5-methyl-N-(2-phenylethyl)-4,5-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-phenylethyl)-4,5-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2-phenylethyl)-4,5-dihydro-1H-imidazole-2-carboxamide is CC1CN=C(C(=O)NCCc2ccccc2)N1.
What is the InChIKey of 5-methyl-N-(2-phenylethyl)-4,5-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is CVDLLYCEZUNFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-9-15-12(16-10)13(17)14-8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 5-methyl-N-(2-phenylethyl)-4,5-dihydro-1H-imidazole-2-carboxamide?
5-methyl-N-(2-phenylethyl)-4,5-dihydro-1H-imidazole-2-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-phenylethyl)-4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 91902231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).