ethane;2-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)-1,2,4-triazole-3-carboxamide

C19H20N6O — CID 162360643

IUPACethane;2-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)-1,2,4-triazole-3-carboxamide
SMILESCC.Cn1ncnc1C(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C17H14N6O.C2H6/c1-23-16(18-10-19-23)17(24)20-12-7-8-13-14(9-12)22-15(21-13)11-5-3-2-4-6-11;1-2/h2-10H,1H3,(H,20,24)(H,21,22);1-2H3
InChIKeyWIEJXGGVJPPMQY-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.64
Rot. Bonds3

About ethane;2-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)-1,2,4-triazole-3-carboxamide

ethane;2-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)-1,2,4-triazole-3-carboxamide (PubChem CID 162360643) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is ethane;2-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Nameethane;2-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)-1,2,4-triazole-3-carboxamide
PubChem CID162360643
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Nameethane;2-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)-1,2,4-triazole-3-carboxamide
SMILESCC.Cn1ncnc1C(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C17H14N6O.C2H6/c1-23-16(18-10-19-23)17(24)20-12-7-8-13-14(9-12)22-15(21-13)11-5-3-2-4-6-11;1-2/h2-10H,1H3,(H,20,24)(H,21,22);1-2H3
InChIKeyWIEJXGGVJPPMQY-UHFFFAOYSA-N
XLogP3.64
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethane;2-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)-1,2,4-triazole-3-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-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide
CID 67686453
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
1-(2-phenyl-3H-benzimidazol-5-yl)-3-propan-2-ylurea
CID 110776332
N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-2-carboxamide
CID 142813059
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 138393444
N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
CID 20694943
N-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 168608096
2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 3106744
N-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]pyridine-2-carboxamide
CID 10149852
4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 2832124

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of ethane;2-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)-1,2,4-triazole-3-carboxamide (CID 162360643) is ethane;2-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for ethane;2-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for ethane;2-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)-1,2,4-triazole-3-carboxamide is CC.Cn1ncnc1C(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of ethane;2-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)-1,2,4-triazole-3-carboxamide?
The InChIKey is WIEJXGGVJPPMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O.C2H6/c1-23-16(18-10-19-23)17(24)20-12-7-8-13-14(9-12)22-15(21-13)11-5-3-2-4-6-11;1-2/h2-10H,1H3,(H,20,24)(H,21,22);1-2H3.
What are the key properties of ethane;2-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)-1,2,4-triazole-3-carboxamide?
ethane;2-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)-1,2,4-triazole-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-(2-phenyl-3H-benzimidazol-5-yl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 162360643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).