N-[4-(1H-benzimidazol-2-yl)phenyl]-5-cyclopropyl-1-phenyltriazole-4-carboxamide

C25H20N6O — CID 166193644

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-5-cyclopropyl-1-phenyltriazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1nnn(-c2ccccc2)c1C1CC1
InChIInChI=1S/C25H20N6O/c32-25(22-23(16-10-11-16)31(30-29-22)19-6-2-1-3-7-19)26-18-14-12-17(13-15-18)24-27-20-8-4-5-9-21(20)28-24/h1-9,12-16H,10-11H2,(H,26,32)(H,27,28)
InChIKeyKAULWSJMPOEJPP-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.94
Rot. Bonds5

About N-[4-(1H-benzimidazol-2-yl)phenyl]-5-cyclopropyl-1-phenyltriazole-4-carboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-5-cyclopropyl-1-phenyltriazole-4-carboxamide (PubChem CID 166193644) has the molecular formula C25H20N6O and a molecular weight of 420.48 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-5-cyclopropyl-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-5-cyclopropyl-1-phenyltriazole-4-carboxamide
PubChem CID166193644
Molecular FormulaC25H20N6O
Molecular Weight420.48 g/mol
Exact Mass420.17
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-5-cyclopropyl-1-phenyltriazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1nnn(-c2ccccc2)c1C1CC1
InChIInChI=1S/C25H20N6O/c32-25(22-23(16-10-11-16)31(30-29-22)19-6-2-1-3-7-19)26-18-14-12-17(13-15-18)24-27-20-8-4-5-9-21(20)28-24/h1-9,12-16H,10-11H2,(H,26,32)(H,27,28)
InChIKeyKAULWSJMPOEJPP-UHFFFAOYSA-N
XLogP4.94
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1S,2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylcyclopropane-1-carboxamide
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N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
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CID 34050635
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide
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(E)-4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobut-2-enoic acid
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CID 55580941
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
CID 3011124
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 27602175
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-(1-methylpyrazol-4-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-5-cyclopropyl-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-5-cyclopropyl-1-phenyltriazole-4-carboxamide (CID 166193644) is N-[4-(1H-benzimidazol-2-yl)phenyl]-5-cyclopropyl-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-5-cyclopropyl-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-5-cyclopropyl-1-phenyltriazole-4-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1nnn(-c2ccccc2)c1C1CC1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-5-cyclopropyl-1-phenyltriazole-4-carboxamide?
The InChIKey is KAULWSJMPOEJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O/c32-25(22-23(16-10-11-16)31(30-29-22)19-6-2-1-3-7-19)26-18-14-12-17(13-15-18)24-27-20-8-4-5-9-21(20)28-24/h1-9,12-16H,10-11H2,(H,26,32)(H,27,28).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-5-cyclopropyl-1-phenyltriazole-4-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-cyclopropyl-1-phenyltriazole-4-carboxamide has a molecular weight of 420.48 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-5-cyclopropyl-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 166193644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).