N-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide

C15H11N7O — CID 56851705

IUPACN-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc2[nH]cnc12
InChIInChI=1S/C15H11N7O/c23-15(11-5-2-6-12-13(11)17-8-16-12)18-10-4-1-3-9(7-10)14-19-21-22-20-14/h1-8H,(H,16,17)(H,18,23)(H,19,20,21,22)
InChIKeyOUXPKPPPOPWHCW-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.00
Rot. Bonds3

About N-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide

N-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 56851705) has the molecular formula C15H11N7O and a molecular weight of 305.30 g/mol. Its IUPAC name is N-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID56851705
Molecular FormulaC15H11N7O
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC NameN-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc2[nH]cnc12
InChIInChI=1S/C15H11N7O/c23-15(11-5-2-6-12-13(11)17-8-16-12)18-10-4-1-3-9(7-10)14-19-21-22-20-14/h1-8H,(H,16,17)(H,18,23)(H,19,20,21,22)
InChIKeyOUXPKPPPOPWHCW-UHFFFAOYSA-N
XLogP2.00
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide (CID 56851705) is N-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide is O=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc2[nH]cnc12.
What is the InChIKey of N-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is OUXPKPPPOPWHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N7O/c23-15(11-5-2-6-12-13(11)17-8-16-12)18-10-4-1-3-9(7-10)14-19-21-22-20-14/h1-8H,(H,16,17)(H,18,23)(H,19,20,21,22).
What are the key properties of N-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide?
N-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 56851705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).