N-(1H-benzimidazol-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide

C23H18N6O — CID 112791039

IUPACN-(1H-benzimidazol-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C23H18N6O/c30-23(24-15-20-25-18-13-7-8-14-19(18)26-20)21-27-22(16-9-3-1-4-10-16)29(28-21)17-11-5-2-6-12-17/h1-14H,15H2,(H,24,30)(H,25,26)
InChIKeyDWQALWHXORQIGA-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.74
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 112791039) has the molecular formula C23H18N6O and a molecular weight of 394.44 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID112791039
Molecular FormulaC23H18N6O
Molecular Weight394.44 g/mol
Exact Mass394.15
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C23H18N6O/c30-23(24-15-20-25-18-13-7-8-14-19(18)26-20)21-27-22(16-9-3-1-4-10-16)29(28-21)17-11-5-2-6-12-17/h1-14H,15H2,(H,24,30)(H,25,26)
InChIKeyDWQALWHXORQIGA-UHFFFAOYSA-N
XLogP3.74
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-4-methyl-1-phenylpyrazole-3-carboxamide
CID 166220607
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
N-(1H-benzimidazol-2-ylmethyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 18131972
N-(1H-benzimidazol-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide
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CID 21008755
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CID 947655
N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide
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2-(1H-benzimidazol-2-ylmethylamino)acetic acid
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N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylbenzamide
CID 117088058
N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
CID 103908650
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CID 58957158
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CID 78991690

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 112791039) is N-(1H-benzimidazol-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is O=C(NCc1nc2ccccc2[nH]1)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is DWQALWHXORQIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O/c30-23(24-15-20-25-18-13-7-8-14-19(18)26-20)21-27-22(16-9-3-1-4-10-16)29(28-21)17-11-5-2-6-12-17/h1-14H,15H2,(H,24,30)(H,25,26).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 112791039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).