N-benzyl-5-methyl-1H-imidazole-4-carboxamide

C12H13N3O — CID 71320720

IUPACN-benzyl-5-methyl-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)NCc1ccccc1
InChIInChI=1S/C12H13N3O/c1-9-11(15-8-14-9)12(16)13-7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,13,16)(H,14,15)
InChIKeyXCNYDYOEFZZKEX-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.65
Rot. Bonds3

About N-benzyl-5-methyl-1H-imidazole-4-carboxamide

N-benzyl-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 71320720) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-benzyl-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-methyl-1H-imidazole-4-carboxamide
PubChem CID71320720
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-benzyl-5-methyl-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)NCc1ccccc1
InChIInChI=1S/C12H13N3O/c1-9-11(15-8-14-9)12(16)13-7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,13,16)(H,14,15)
InChIKeyXCNYDYOEFZZKEX-UHFFFAOYSA-N
XLogP1.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2-phenylpropanoic acid
CID 154867048
5-N-benzyl-4-N-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736412
5-N-benzyl-4-N-(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736415
5-N-benzyl-4-N-(3-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736413
N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465518
methyl 5-methyl-1H-imidazole-4-carboxylate
CID 587740
N-benzyl-2,3-dimethylpyridine-4-carboxamide
CID 110850641
N-benzyl-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112520079
N-benzyl-2,4-dimethylpyrimidine-5-carboxamide
CID 53007173
3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 154769660
2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 1487920
5-amino-N-benzyl-2-methylpyridine-3-carboxamide
CID 54917003

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-benzyl-5-methyl-1H-imidazole-4-carboxamide (CID 71320720) is N-benzyl-5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-benzyl-5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-benzyl-5-methyl-1H-imidazole-4-carboxamide is Cc1[nH]cnc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is XCNYDYOEFZZKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-11(15-8-14-9)12(16)13-7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-benzyl-5-methyl-1H-imidazole-4-carboxamide?
N-benzyl-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 71320720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).