2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylic acid

C19H15N3O3 — CID 162657447

IUPAC2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylic acid
SMILESCc1nc(-c2cccc(C#N)c2)n(OCc2ccccc2)c1C(=O)O
InChIInChI=1S/C19H15N3O3/c1-13-17(19(23)24)22(25-12-14-6-3-2-4-7-14)18(21-13)16-9-5-8-15(10-16)11-20/h2-10H,12H2,1H3,(H,23,24)
InChIKeyIJWWEPCJMTYZCM-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.06
Rot. Bonds5

About 2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylic acid

2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylic acid (PubChem CID 162657447) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylic acid
PubChem CID162657447
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylic acid
SMILESCc1nc(-c2cccc(C#N)c2)n(OCc2ccccc2)c1C(=O)O
InChIInChI=1S/C19H15N3O3/c1-13-17(19(23)24)22(25-12-14-6-3-2-4-7-14)18(21-13)16-9-5-8-15(10-16)11-20/h2-10H,12H2,1H3,(H,23,24)
InChIKeyIJWWEPCJMTYZCM-UHFFFAOYSA-N
XLogP3.06
TPSA88.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylic acid?
The IUPAC name of 2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylic acid (CID 162657447) is 2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylic acid?
The canonical SMILES for 2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylic acid is Cc1nc(-c2cccc(C#N)c2)n(OCc2ccccc2)c1C(=O)O.
What is the InChIKey of 2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylic acid?
The InChIKey is IJWWEPCJMTYZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-13-17(19(23)24)22(25-12-14-6-3-2-4-7-14)18(21-13)16-9-5-8-15(10-16)11-20/h2-10H,12H2,1H3,(H,23,24).
What are the key properties of 2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylic acid?
2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylic acid has a molecular weight of 333.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylic acid is sourced from PubChem (CID 162657447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).