N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

C18H16N6O2 — CID 167970718

IUPACN-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCCc1nc(-c2ccccc2NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)n[nH]1
InChIInChI=1S/C18H16N6O2/c1-2-15-22-16(24-23-15)11-5-3-4-6-12(11)19-17(25)10-7-8-13-14(9-10)21-18(26)20-13/h3-9H,2H2,1H3,(H,19,25)(H2,20,21,26)(H,22,23,24)
InChIKeyVOUJHBDSRIFJSL-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.46
Rot. Bonds4

About N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (PubChem CID 167970718) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
PubChem CID167970718
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC NameN-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCCc1nc(-c2ccccc2NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)n[nH]1
InChIInChI=1S/C18H16N6O2/c1-2-15-22-16(24-23-15)11-5-3-4-6-12(11)19-17(25)10-7-8-13-14(9-10)21-18(26)20-13/h3-9H,2H2,1H3,(H,19,25)(H2,20,21,26)(H,22,23,24)
InChIKeyVOUJHBDSRIFJSL-UHFFFAOYSA-N
XLogP2.46
TPSA119.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-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-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-4-methylsulfinylbenzamide
CID 138989499
ethyl 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]benzoate
CID 138989702
2-cyano-N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide
CID 138989696
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-6-sulfamoylpyridine-3-carboxamide
CID 154796060
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-methylindole-2-carboxamide
CID 138989491
4-(cyclopropylmethylsulfonyl)-N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 146148764
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 138989490
N-(2,3-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692364
N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692366
3-bromo-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 110867241
methyl 3-[2-[(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)amino]phenyl]propanoate
CID 67175600
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 167847284

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The IUPAC name of N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (CID 167970718) is N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is CCc1nc(-c2ccccc2NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)n[nH]1.
What is the InChIKey of N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The InChIKey is VOUJHBDSRIFJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-2-15-22-16(24-23-15)11-5-3-4-6-12(11)19-17(25)10-7-8-13-14(9-10)21-18(26)20-13/h3-9H,2H2,1H3,(H,19,25)(H2,20,21,26)(H,22,23,24).
What are the key properties of N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 167970718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).