N-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide

C12H13N3O2 — CID 110683979

IUPACN-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2nc[nH]c2C)c1
InChIInChI=1S/C12H13N3O2/c1-8-11(14-7-13-8)12(16)15-9-4-3-5-10(6-9)17-2/h3-7H,1-2H3,(H,13,14)(H,15,16)
InChIKeyKKQFREQCXHTUJX-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.98
Rot. Bonds3

About N-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide

N-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 110683979) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
PubChem CID110683979
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC NameN-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2nc[nH]c2C)c1
InChIInChI=1S/C12H13N3O2/c1-8-11(14-7-13-8)12(16)15-9-4-3-5-10(6-9)17-2/h3-7H,1-2H3,(H,13,14)(H,15,16)
InChIKeyKKQFREQCXHTUJX-UHFFFAOYSA-N
XLogP1.98
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-benzyl-4-N-(3-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736413
3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866755
3-amino-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 46673484
4,5-dibromo-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 19508436
1-(3H-benzimidazol-5-yl)-3-(3-methoxyphenyl)urea
CID 108869161
N-(4-tert-butylphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110683972
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
N-(3-methoxyphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104640036
N-(3-methoxyphenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 110650244
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 127267538
N-(3-methoxyphenyl)-1H-pyrrole-3-carboxamide
CID 110691156

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide (CID 110683979) is N-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide is COc1cccc(NC(=O)c2nc[nH]c2C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is KKQFREQCXHTUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-11(14-7-13-8)12(16)15-9-4-3-5-10(6-9)17-2/h3-7H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of N-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide?
N-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 110683979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).