2-(3-cyanophenyl)-5-methyl-3-propan-2-yloxyimidazole-4-carboxylic acid

C15H15N3O3 — CID 170162960

IUPAC2-(3-cyanophenyl)-5-methyl-3-propan-2-yloxyimidazole-4-carboxylic acid
SMILESCc1nc(-c2cccc(C#N)c2)n(OC(C)C)c1C(=O)O
InChIInChI=1S/C15H15N3O3/c1-9(2)21-18-13(15(19)20)10(3)17-14(18)12-6-4-5-11(7-12)8-16/h4-7,9H,1-3H3,(H,19,20)
InChIKeyUNTPBUSIQYLJLI-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.27
Rot. Bonds4

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

2-(3-cyanophenyl)-5-methyl-3-propan-2-yloxyimidazole-4-carboxylic acid (PubChem CID 170162960) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(3-cyanophenyl)-5-methyl-3-propan-2-yloxyimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-cyanophenyl)-5-methyl-3-propan-2-yloxyimidazole-4-carboxylic acid
PubChem CID170162960
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-(3-cyanophenyl)-5-methyl-3-propan-2-yloxyimidazole-4-carboxylic acid
SMILESCc1nc(-c2cccc(C#N)c2)n(OC(C)C)c1C(=O)O
InChIInChI=1S/C15H15N3O3/c1-9(2)21-18-13(15(19)20)10(3)17-14(18)12-6-4-5-11(7-12)8-16/h4-7,9H,1-3H3,(H,19,20)
InChIKeyUNTPBUSIQYLJLI-UHFFFAOYSA-N
XLogP2.27
TPSA88.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyanophenyl)-3-(3-hydroxypropoxy)-5-methylimidazole-4-carboxylic acid
CID 170161093
ethyl 2-(3-cyanophenyl)-3-[(3-cyanophenyl)methoxy]-5-methylimidazole-4-carboxylate
CID 162654274
2-(3-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid
CID 131988138
3-(3-acetyl-4-methylphenyl)benzonitrile
CID 70243297
2-(3-cyanophenyl)-3-methoxy-5-methyl-N-phenylimidazole-4-carboxamide;ethyl 2-(3-cyano-4-fluorophenyl)-3-hydroxy-5-methylimidazole-4-carboxylate;ethyl 2-(3-cyanophenyl)-3,5-dimethylimidazole-4-carboxylate
CID 163695753
ethyl 5-(3-cyanophenyl)-1-methyl-1,2,4-triazole-3-carboxylate
CID 55182921
3-(3-cyanophenyl)-5-methoxycarbonylbenzoic acid
CID 139798609
3-(3-cyanophenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 63991922
2-(3-cyanophenyl)-5-methylbenzoic acid
CID 53225050
N-(3-cyanophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 110864853
dimethyl 3-(3-cyanophenyl)-1-phenylpyrazole-4,5-dicarboxylate
CID 169387271
3-[3-(3-cyanophenyl)-5-methyl-1,2,4-triazol-1-yl]-N-phenylpropanamide
CID 84590718

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenyl)-5-methyl-3-propan-2-yloxyimidazole-4-carboxylic acid?
The IUPAC name of 2-(3-cyanophenyl)-5-methyl-3-propan-2-yloxyimidazole-4-carboxylic acid (CID 170162960) is 2-(3-cyanophenyl)-5-methyl-3-propan-2-yloxyimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-cyanophenyl)-5-methyl-3-propan-2-yloxyimidazole-4-carboxylic acid?
The canonical SMILES for 2-(3-cyanophenyl)-5-methyl-3-propan-2-yloxyimidazole-4-carboxylic acid is Cc1nc(-c2cccc(C#N)c2)n(OC(C)C)c1C(=O)O.
What is the InChIKey of 2-(3-cyanophenyl)-5-methyl-3-propan-2-yloxyimidazole-4-carboxylic acid?
The InChIKey is UNTPBUSIQYLJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9(2)21-18-13(15(19)20)10(3)17-14(18)12-6-4-5-11(7-12)8-16/h4-7,9H,1-3H3,(H,19,20).
What are the key properties of 2-(3-cyanophenyl)-5-methyl-3-propan-2-yloxyimidazole-4-carboxylic acid?
2-(3-cyanophenyl)-5-methyl-3-propan-2-yloxyimidazole-4-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 2.27, 4 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-propan-2-yloxyimidazole-4-carboxylic acid is sourced from PubChem (CID 170162960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).