4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1H-benzimidazole-2-carboxamide

C23H24N6O — CID 139360374

IUPAC4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1H-benzimidazole-2-carboxamide
SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)c2nc3c(C4CC4)cccc3[nH]2)c1
InChIInChI=1S/C23H24N6O/c1-14(11-20-28-24-13-29(20)2)16-5-3-6-17(12-16)25-23(30)22-26-19-8-4-7-18(15-9-10-15)21(19)27-22/h3-8,12-15H,9-11H2,1-2H3,(H,25,30)(H,26,27)/t14-/m1/s1
InChIKeyRPVJWARGZHJROI-CQSZACIVSA-N
MW400.49 g/mol
LogP4.17
Rot. Bonds6

About 4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1H-benzimidazole-2-carboxamide

4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1H-benzimidazole-2-carboxamide (PubChem CID 139360374) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1H-benzimidazole-2-carboxamide
PubChem CID139360374
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1H-benzimidazole-2-carboxamide
SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)c2nc3c(C4CC4)cccc3[nH]2)c1
InChIInChI=1S/C23H24N6O/c1-14(11-20-28-24-13-29(20)2)16-5-3-6-17(12-16)25-23(30)22-26-19-8-4-7-18(15-9-10-15)21(19)27-22/h3-8,12-15H,9-11H2,1-2H3,(H,25,30)(H,26,27)/t14-/m1/s1
InChIKeyRPVJWARGZHJROI-CQSZACIVSA-N
XLogP4.17
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 23648232
N-(3-{4-[3-(5-[1,2,4]Triazol-4-yl-1H-indol-3-yl)-propyl]-piperazin-1-ylmethyl}-phenyl)-acetamide
CID 11798094
2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-phenyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]ethyl]acetamide
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N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
CID 645440
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CID 16188296
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CID 9866484
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CID 10814273
1-Phenethyl-4-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperazin-2-one
CID 10836290
(R)-N-(1-(4-(2-(1H-indol-3-yl)ethyl)-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-amino-2-methylpropanamide
CID 16113474
(R)-2-amino-N-(1-(5-benzyl-4-phenethyl-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-methylpropanamide
CID 16204131
2-amino-N-[(1R)-1-(4,5-dibenzyl-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 16204145
2-amino-N-((R)-1-(5-benzyl-4-hexyl-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1H-benzimidazole-2-carboxamide?
The IUPAC name of 4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1H-benzimidazole-2-carboxamide (CID 139360374) is 4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1H-benzimidazole-2-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1H-benzimidazole-2-carboxamide is C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2nc3c(C4CC4)cccc3[nH]2)c1.
What is the InChIKey of 4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1H-benzimidazole-2-carboxamide?
The InChIKey is RPVJWARGZHJROI-CQSZACIVSA-N. The full InChI is InChI=1S/C23H24N6O/c1-14(11-20-28-24-13-29(20)2)16-5-3-6-17(12-16)25-23(30)22-26-19-8-4-7-18(15-9-10-15)21(19)27-22/h3-8,12-15H,9-11H2,1-2H3,(H,25,30)(H,26,27)/t14-/m1/s1.
What are the key properties of 4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1H-benzimidazole-2-carboxamide?
4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1H-benzimidazole-2-carboxamide has a molecular weight of 400.49 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 139360374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).