2-benzhydryl-1H-imidazole-5-carboxylic acid

C17H14N2O2 — CID 62252830

IUPAC2-benzhydryl-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(C(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C17H14N2O2/c20-17(21)14-11-18-16(19-14)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,15H,(H,18,19)(H,20,21)
InChIKeyPDCFHGYXIBMUDH-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.29
Rot. Bonds4

About 2-benzhydryl-1H-imidazole-5-carboxylic acid

2-benzhydryl-1H-imidazole-5-carboxylic acid (PubChem CID 62252830) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-benzhydryl-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-benzhydryl-1H-imidazole-5-carboxylic acid
PubChem CID62252830
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-benzhydryl-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(C(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C17H14N2O2/c20-17(21)14-11-18-16(19-14)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,15H,(H,18,19)(H,20,21)
InChIKeyPDCFHGYXIBMUDH-UHFFFAOYSA-N
XLogP3.29
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-benzhydryl-1H-imidazole-5-carboxylic acid (CID 62252830) is 2-benzhydryl-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-benzhydryl-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-benzhydryl-1H-imidazole-5-carboxylic acid is O=C(O)c1cnc(C(c2ccccc2)c2ccccc2)[nH]1.
What is the InChIKey of 2-benzhydryl-1H-imidazole-5-carboxylic acid?
The InChIKey is PDCFHGYXIBMUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-17(21)14-11-18-16(19-14)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,15H,(H,18,19)(H,20,21).
What are the key properties of 2-benzhydryl-1H-imidazole-5-carboxylic acid?
2-benzhydryl-1H-imidazole-5-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 62252830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).