N-[(3-methylthiophen-2-yl)methyl]-3-phenylimidazole-4-carboxamide

C16H15N3OS — CID 32987382

IUPACN-[(3-methylthiophen-2-yl)methyl]-3-phenylimidazole-4-carboxamide
SMILESCc1ccsc1CNC(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C16H15N3OS/c1-12-7-8-21-15(12)10-18-16(20)14-9-17-11-19(14)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,18,20)
InChIKeyCOCBPUBGXGGVRJ-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.17
Rot. Bonds4

About N-[(3-methylthiophen-2-yl)methyl]-3-phenylimidazole-4-carboxamide

N-[(3-methylthiophen-2-yl)methyl]-3-phenylimidazole-4-carboxamide (PubChem CID 32987382) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-3-phenylimidazole-4-carboxamide
PubChem CID32987382
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-3-phenylimidazole-4-carboxamide
SMILESCc1ccsc1CNC(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C16H15N3OS/c1-12-7-8-21-15(12)10-18-16(20)14-9-17-11-19(14)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,18,20)
InChIKeyCOCBPUBGXGGVRJ-UHFFFAOYSA-N
XLogP3.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-methylthiophen-2-yl)methyl]-3-phenylimidazole-4-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-ethyl-3-phenylimidazole-4-carboxamide
CID 47109591
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylimidazole-4-carboxamide
CID 41283014
N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 32988332
N-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide
CID 119996977
N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide
CID 106843413
3-phenyl-N-[(1-phenylcyclopropyl)methyl]imidazole-4-carboxamide
CID 42145677
2-methyl-4-[(3-phenylimidazole-4-carbonyl)amino]butanoic acid
CID 80536971
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-phenylimidazole-4-carboxamide
CID 41236053
N-[(3-methylthiophen-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 32987474
7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid
CID 75414767
N-(3-methylphenyl)-3-phenylimidazole-4-carboxamide
CID 27166887
1-ethyl-N-[(3-methylthiophen-2-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 38006616

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-3-phenylimidazole-4-carboxamide (CID 32987382) is N-[(3-methylthiophen-2-yl)methyl]-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-3-phenylimidazole-4-carboxamide is Cc1ccsc1CNC(=O)c1cncn1-c1ccccc1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-3-phenylimidazole-4-carboxamide?
The InChIKey is COCBPUBGXGGVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-12-7-8-21-15(12)10-18-16(20)14-9-17-11-19(14)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,18,20).
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-3-phenylimidazole-4-carboxamide?
N-[(3-methylthiophen-2-yl)methyl]-3-phenylimidazole-4-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 32987382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).