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

C22H17N7O — CID 25181266

IUPAC2-methyl-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)Nc3cccc(-c4nn[nH]n4)c3)ccc2n1-c1ccccc1
InChIInChI=1S/C22H17N7O/c1-14-23-19-13-16(10-11-20(19)29(14)18-8-3-2-4-9-18)22(30)24-17-7-5-6-15(12-17)21-25-27-28-26-21/h2-13H,1H3,(H,24,30)(H,25,26,27,28)
InChIKeyZIIFCFAJQRETHV-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.77
Rot. Bonds4

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

2-methyl-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzimidazole-5-carboxamide (PubChem CID 25181266) has the molecular formula C22H17N7O and a molecular weight of 395.43 g/mol. Its IUPAC name is 2-methyl-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzimidazole-5-carboxamide
PubChem CID25181266
Molecular FormulaC22H17N7O
Molecular Weight395.43 g/mol
Exact Mass395.15
IUPAC Name2-methyl-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)Nc3cccc(-c4nn[nH]n4)c3)ccc2n1-c1ccccc1
InChIInChI=1S/C22H17N7O/c1-14-23-19-13-16(10-11-20(19)29(14)18-8-3-2-4-9-18)22(30)24-17-7-5-6-15(12-17)21-25-27-28-26-21/h2-13H,1H3,(H,24,30)(H,25,26,27,28)
InChIKeyZIIFCFAJQRETHV-UHFFFAOYSA-N
XLogP3.77
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzimidazole-5-carboxamide?
The IUPAC name of 2-methyl-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzimidazole-5-carboxamide (CID 25181266) is 2-methyl-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzimidazole-5-carboxamide?
The canonical SMILES for 2-methyl-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzimidazole-5-carboxamide is Cc1nc2cc(C(=O)Nc3cccc(-c4nn[nH]n4)c3)ccc2n1-c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzimidazole-5-carboxamide?
The InChIKey is ZIIFCFAJQRETHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N7O/c1-14-23-19-13-16(10-11-20(19)29(14)18-8-3-2-4-9-18)22(30)24-17-7-5-6-15(12-17)21-25-27-28-26-21/h2-13H,1H3,(H,24,30)(H,25,26,27,28).
What are the key properties of 2-methyl-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzimidazole-5-carboxamide?
2-methyl-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzimidazole-5-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 25181266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).