3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-1H-benzimidazol-2-one

C15H12N6O — CID 18780698

IUPAC3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1Cc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C15H12N6O/c22-15-16-12-3-1-2-4-13(12)21(15)9-10-5-7-11(8-6-10)14-17-19-20-18-14/h1-8H,9H2,(H,16,22)(H,17,18,19,20)
InChIKeyDULCDNTZZKXJFF-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.56
Rot. Bonds3

About 3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-1H-benzimidazol-2-one

3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-1H-benzimidazol-2-one (PubChem CID 18780698) has the molecular formula C15H12N6O and a molecular weight of 292.30 g/mol. Its IUPAC name is 3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-1H-benzimidazol-2-one
PubChem CID18780698
Molecular FormulaC15H12N6O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1Cc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C15H12N6O/c22-15-16-12-3-1-2-4-13(12)21(15)9-10-5-7-11(8-6-10)14-17-19-20-18-14/h1-8H,9H2,(H,16,22)(H,17,18,19,20)
InChIKeyDULCDNTZZKXJFF-UHFFFAOYSA-N
XLogP1.56
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-1H-benzimidazol-2-one (CID 18780698) is 3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1Cc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-1H-benzimidazol-2-one?
The InChIKey is DULCDNTZZKXJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O/c22-15-16-12-3-1-2-4-13(12)21(15)9-10-5-7-11(8-6-10)14-17-19-20-18-14/h1-8H,9H2,(H,16,22)(H,17,18,19,20).
What are the key properties of 3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-1H-benzimidazol-2-one?
3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-1H-benzimidazol-2-one has a molecular weight of 292.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 18780698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).