ethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate

C14H15N3O3 — CID 847566

IUPACethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]cnc1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C14H15N3O3/c1-3-20-14(19)12-11(15-8-16-12)13(18)17-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyYLZFLAXCYHWLKH-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.15
Rot. Bonds4

About ethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate

ethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate (PubChem CID 847566) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is ethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate
PubChem CID847566
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Nameethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]cnc1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C14H15N3O3/c1-3-20-14(19)12-11(15-8-16-12)13(18)17-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyYLZFLAXCYHWLKH-UHFFFAOYSA-N
XLogP2.15
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(hydrazinecarbonyl)-N-(4-methylphenyl)-1H-imidazole-5-carboxamide
CID 823571
ethyl 4-[[5-(diethylcarbamoyl)-1H-imidazole-4-carbonyl]amino]benzoate
CID 16746613
methyl 4-[(4-aminophenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 118419349
4-N,5-N-bis(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 22331411
ethyl 4-[[5-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]-1H-imidazole-4-carbonyl]amino]benzoate
CID 46904173
tert-butyl 2-[[4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate
CID 16746593
ethyl 4-[(6-aminopyridin-1-ium-2-yl)carbamoyl]-1H-imidazole-5-carboxylate
CID 7041039
tert-butyl (2S)-2-[[4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]propanoate
CID 16746629
5-N-ethyl-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide
CID 144936571
diethyl 3-methyl-5-[(4-methylphenyl)carbamoyl]-1H-pyrrole-2,4-dicarboxylate
CID 10089768
ethyl 4-benzoyl-1H-imidazole-5-carboxylate
CID 966467
N-(4-methylphenyl)-5-nitro-1H-imidazole-4-carboxamide
CID 135513600

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate (CID 847566) is ethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate is CCOC(=O)c1[nH]cnc1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of ethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate?
The InChIKey is YLZFLAXCYHWLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-20-14(19)12-11(15-8-16-12)13(18)17-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of ethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate?
ethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate is sourced from PubChem (CID 847566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).