(2R)-N-(1-methylbenzimidazol-5-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide

C17H15N7O — CID 97265723

IUPAC(2R)-N-(1-methylbenzimidazol-5-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESCn1cnc2cc(NC(=O)[C@@H](c3ccccc3)n3cnnn3)ccc21
InChIInChI=1S/C17H15N7O/c1-23-10-18-14-9-13(7-8-15(14)23)20-17(25)16(24-11-19-21-22-24)12-5-3-2-4-6-12/h2-11,16H,1H3,(H,20,25)/t16-/m1/s1
InChIKeyXUPHQMPSQFKUFC-MRXNPFEDSA-N
MW333.36 g/mol
LogP1.79
Rot. Bonds4

About (2R)-N-(1-methylbenzimidazol-5-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide

(2R)-N-(1-methylbenzimidazol-5-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide (PubChem CID 97265723) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is (2R)-N-(1-methylbenzimidazol-5-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound Name(2R)-N-(1-methylbenzimidazol-5-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide
PubChem CID97265723
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC Name(2R)-N-(1-methylbenzimidazol-5-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESCn1cnc2cc(NC(=O)[C@@H](c3ccccc3)n3cnnn3)ccc21
InChIInChI=1S/C17H15N7O/c1-23-10-18-14-9-13(7-8-15(14)23)20-17(25)16(24-11-19-21-22-24)12-5-3-2-4-6-12/h2-11,16H,1H3,(H,20,25)/t16-/m1/s1
InChIKeyXUPHQMPSQFKUFC-MRXNPFEDSA-N
XLogP1.79
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-methylbenzimidazol-5-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of (2R)-N-(1-methylbenzimidazol-5-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide (CID 97265723) is (2R)-N-(1-methylbenzimidazol-5-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for (2R)-N-(1-methylbenzimidazol-5-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for (2R)-N-(1-methylbenzimidazol-5-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide is Cn1cnc2cc(NC(=O)[C@@H](c3ccccc3)n3cnnn3)ccc21.
What is the InChIKey of (2R)-N-(1-methylbenzimidazol-5-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is XUPHQMPSQFKUFC-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15N7O/c1-23-10-18-14-9-13(7-8-15(14)23)20-17(25)16(24-11-19-21-22-24)12-5-3-2-4-6-12/h2-11,16H,1H3,(H,20,25)/t16-/m1/s1.
What are the key properties of (2R)-N-(1-methylbenzimidazol-5-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide?
(2R)-N-(1-methylbenzimidazol-5-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 333.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-methylbenzimidazol-5-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 97265723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).