5-carbamoyl-4-cyclohexylimidazole-1-carboxylic acid

C11H15N3O3 — CID 20550052

IUPAC5-carbamoyl-4-cyclohexylimidazole-1-carboxylic acid
SMILESNC(=O)c1c(C2CCCCC2)ncn1C(=O)O
InChIInChI=1S/C11H15N3O3/c12-10(15)9-8(7-4-2-1-3-5-7)13-6-14(9)11(16)17/h6-7H,1-5H2,(H2,12,15)(H,16,17)
InChIKeyCSFWZJICHPMKGU-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.56
Rot. Bonds2

About 5-carbamoyl-4-cyclohexylimidazole-1-carboxylic acid

5-carbamoyl-4-cyclohexylimidazole-1-carboxylic acid (PubChem CID 20550052) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-carbamoyl-4-cyclohexylimidazole-1-carboxylic acid.

Molecular Properties

Compound Name5-carbamoyl-4-cyclohexylimidazole-1-carboxylic acid
PubChem CID20550052
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name5-carbamoyl-4-cyclohexylimidazole-1-carboxylic acid
SMILESNC(=O)c1c(C2CCCCC2)ncn1C(=O)O
InChIInChI=1S/C11H15N3O3/c12-10(15)9-8(7-4-2-1-3-5-7)13-6-14(9)11(16)17/h6-7H,1-5H2,(H2,12,15)(H,16,17)
InChIKeyCSFWZJICHPMKGU-UHFFFAOYSA-N
XLogP1.56
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide
CID 141069706
methyl 5-cyclobutyl-3-ethylimidazole-4-carboxylate
CID 172593208
3-methyl-5-(5-oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl)imidazole-4-carboxamide
CID 175894474
3-carbamoyl-4-cyclohexylindazole-1-carboxylic acid
CID 156503098
1-(cyclohexanecarbonyl)-1,2,4-triazole-3-carboxamide
CID 21481192
4-(5-carbamoylcyclooctyl)imidazole-1-carboxylic acid
CID 70528649
2-cyclohexyl-3-(cyclohexylamino)imidazo[1,2-a]pyridine-6-carboxamide
CID 11035219
3-amino-1,2,4-triazole-4-carboxylic acid
CID 121433460
ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate
CID 146167576
2-cyclopentylpyridine-3-carboxylic acid
CID 83915500
7-chloro-1-cyclopentyl-5-methylimidazo[1,5-a]pyridine
CID 121440100
5-cyclooctyl-3-(2-methylpropyl)imidazol-4-amine
CID 114207922

Frequently Asked Questions

What is the IUPAC name of 5-carbamoyl-4-cyclohexylimidazole-1-carboxylic acid?
The IUPAC name of 5-carbamoyl-4-cyclohexylimidazole-1-carboxylic acid (CID 20550052) is 5-carbamoyl-4-cyclohexylimidazole-1-carboxylic acid.
What is the SMILES notation for 5-carbamoyl-4-cyclohexylimidazole-1-carboxylic acid?
The canonical SMILES for 5-carbamoyl-4-cyclohexylimidazole-1-carboxylic acid is NC(=O)c1c(C2CCCCC2)ncn1C(=O)O.
What is the InChIKey of 5-carbamoyl-4-cyclohexylimidazole-1-carboxylic acid?
The InChIKey is CSFWZJICHPMKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-10(15)9-8(7-4-2-1-3-5-7)13-6-14(9)11(16)17/h6-7H,1-5H2,(H2,12,15)(H,16,17).
What are the key properties of 5-carbamoyl-4-cyclohexylimidazole-1-carboxylic acid?
5-carbamoyl-4-cyclohexylimidazole-1-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamoyl-4-cyclohexylimidazole-1-carboxylic acid is sourced from PubChem (CID 20550052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).