5-(4-ethoxy-3-methylphenyl)-1H-imidazole-2-carboxamide

C13H15N3O2 — CID 116883976

IUPAC5-(4-ethoxy-3-methylphenyl)-1H-imidazole-2-carboxamide
SMILESCCOc1ccc(-c2cnc(C(N)=O)[nH]2)cc1C
InChIInChI=1S/C13H15N3O2/c1-3-18-11-5-4-9(6-8(11)2)10-7-15-13(16-10)12(14)17/h4-7H,3H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyVXQULEBNOOYXEN-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.88
Rot. Bonds4

About 5-(4-ethoxy-3-methylphenyl)-1H-imidazole-2-carboxamide

5-(4-ethoxy-3-methylphenyl)-1H-imidazole-2-carboxamide (PubChem CID 116883976) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-(4-ethoxy-3-methylphenyl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-ethoxy-3-methylphenyl)-1H-imidazole-2-carboxamide
PubChem CID116883976
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-(4-ethoxy-3-methylphenyl)-1H-imidazole-2-carboxamide
SMILESCCOc1ccc(-c2cnc(C(N)=O)[nH]2)cc1C
InChIInChI=1S/C13H15N3O2/c1-3-18-11-5-4-9(6-8(11)2)10-7-15-13(16-10)12(14)17/h4-7H,3H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyVXQULEBNOOYXEN-UHFFFAOYSA-N
XLogP1.88
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(4-ethoxy-3-methylphenyl)-1H-imidazole
CID 116884267
6-(4-ethoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione
CID 82295142
5-(4-chlorophenyl)-1H-imidazole-2-carboxamide
CID 116883933
5-(4-ethoxycarbonylphenyl)-1H-imidazole-2-carboxylic acid
CID 174389731
5-(4-fluoro-3-methylphenyl)-1H-imidazole-2-carboxylic acid
CID 82079702
1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880620
5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-amine
CID 82286480
ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate
CID 116883542
1-ethoxy-2-methyl-4-(4-methylphenyl)benzene
CID 59737736
[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82285154
4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]butan-2-one
CID 116880882
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-imidazole-2-carboxamide
CID 116883951

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxy-3-methylphenyl)-1H-imidazole-2-carboxamide?
The IUPAC name of 5-(4-ethoxy-3-methylphenyl)-1H-imidazole-2-carboxamide (CID 116883976) is 5-(4-ethoxy-3-methylphenyl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-(4-ethoxy-3-methylphenyl)-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-(4-ethoxy-3-methylphenyl)-1H-imidazole-2-carboxamide is CCOc1ccc(-c2cnc(C(N)=O)[nH]2)cc1C.
What is the InChIKey of 5-(4-ethoxy-3-methylphenyl)-1H-imidazole-2-carboxamide?
The InChIKey is VXQULEBNOOYXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-18-11-5-4-9(6-8(11)2)10-7-15-13(16-10)12(14)17/h4-7H,3H2,1-2H3,(H2,14,17)(H,15,16).
What are the key properties of 5-(4-ethoxy-3-methylphenyl)-1H-imidazole-2-carboxamide?
5-(4-ethoxy-3-methylphenyl)-1H-imidazole-2-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxy-3-methylphenyl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 116883976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).