N-(1H-benzimidazol-2-yl)-3-(triazol-1-yl)propanamide

C12H12N6O — CID 60725316

IUPACN-(1H-benzimidazol-2-yl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C12H12N6O/c19-11(5-7-18-8-6-13-17-18)16-12-14-9-3-1-2-4-10(9)15-12/h1-4,6,8H,5,7H2,(H2,14,15,16,19)
InChIKeyTYKVUBKYVNQICV-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.18
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-3-(triazol-1-yl)propanamide

N-(1H-benzimidazol-2-yl)-3-(triazol-1-yl)propanamide (PubChem CID 60725316) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-(triazol-1-yl)propanamide
PubChem CID60725316
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC NameN-(1H-benzimidazol-2-yl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C12H12N6O/c19-11(5-7-18-8-6-13-17-18)16-12-14-9-3-1-2-4-10(9)15-12/h1-4,6,8H,5,7H2,(H2,14,15,16,19)
InChIKeyTYKVUBKYVNQICV-UHFFFAOYSA-N
XLogP1.18
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-(triazol-1-yl)propanamide (CID 60725316) is N-(1H-benzimidazol-2-yl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-(triazol-1-yl)propanamide is O=C(CCn1ccnn1)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-(triazol-1-yl)propanamide?
The InChIKey is TYKVUBKYVNQICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c19-11(5-7-18-8-6-13-17-18)16-12-14-9-3-1-2-4-10(9)15-12/h1-4,6,8H,5,7H2,(H2,14,15,16,19).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-(triazol-1-yl)propanamide?
N-(1H-benzimidazol-2-yl)-3-(triazol-1-yl)propanamide has a molecular weight of 256.27 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 60725316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).