N-(4-phenyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide

C16H12N6O — CID 75445136

IUPACN-(4-phenyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1nncn1-c1ccccc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H12N6O/c23-15(11-6-7-13-14(8-11)18-9-17-13)20-16-21-19-10-22(16)12-4-2-1-3-5-12/h1-10H,(H,17,18)(H,20,21,23)
InChIKeyARSCIJJABDISSZ-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.40
Rot. Bonds3

About N-(4-phenyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide

N-(4-phenyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 75445136) has the molecular formula C16H12N6O and a molecular weight of 304.31 g/mol. Its IUPAC name is N-(4-phenyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-phenyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide
PubChem CID75445136
Molecular FormulaC16H12N6O
Molecular Weight304.31 g/mol
Exact Mass304.11
IUPAC NameN-(4-phenyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1nncn1-c1ccccc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H12N6O/c23-15(11-6-7-13-14(8-11)18-9-17-13)20-16-21-19-10-22(16)12-4-2-1-3-5-12/h1-10H,(H,17,18)(H,20,21,23)
InChIKeyARSCIJJABDISSZ-UHFFFAOYSA-N
XLogP2.40
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-phenyl-1,2,4-triazol-3-yl)-3H-benzimidazole-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-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
N-(3-methyl-1-phenylindazol-6-yl)-3H-benzimidazole-5-carboxamide
CID 58483609
bis(3H-benzimidazol-5-yl)methanone
CID 71332789
N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
CID 60630265
molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 165120783
N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 28739583
N-(4-phenyl-1,2,4-triazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 167928589
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 17421337
N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
CID 27259059
N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide
CID 110743788
4-(3H-benzimidazole-5-carbonylamino)-3-methylbenzoic acid
CID 24702726
N-[1-(1-phenyltriazol-4-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 71969366

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(4-phenyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide (CID 75445136) is N-(4-phenyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-phenyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(4-phenyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide is O=C(Nc1nncn1-c1ccccc1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(4-phenyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is ARSCIJJABDISSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O/c23-15(11-6-7-13-14(8-11)18-9-17-13)20-16-21-19-10-22(16)12-4-2-1-3-5-12/h1-10H,(H,17,18)(H,20,21,23).
What are the key properties of N-(4-phenyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide?
N-(4-phenyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 75445136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).