N-[2-(hydroxymethyl)cyclohexyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

C11H17N3O3 — CID 103860334

IUPACN-[2-(hydroxymethyl)cyclohexyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(NC1CCCCC1CO)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N3O3/c15-6-7-3-1-2-4-8(7)13-10(16)9-5-12-11(17)14-9/h5,7-8,15H,1-4,6H2,(H,13,16)(H2,12,14,17)
InChIKeyUVQBJOOHYDHLHU-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.02
Rot. Bonds3

About N-[2-(hydroxymethyl)cyclohexyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-[2-(hydroxymethyl)cyclohexyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 103860334) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID103860334
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(NC1CCCCC1CO)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N3O3/c15-6-7-3-1-2-4-8(7)13-10(16)9-5-12-11(17)14-9/h5,7-8,15H,1-4,6H2,(H,13,16)(H2,12,14,17)
InChIKeyUVQBJOOHYDHLHU-UHFFFAOYSA-N
XLogP-0.02
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 103860334) is N-[2-(hydroxymethyl)cyclohexyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is O=C(NC1CCCCC1CO)c1c[nH]c(=O)[nH]1.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is UVQBJOOHYDHLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c15-6-7-3-1-2-4-8(7)13-10(16)9-5-12-11(17)14-9/h5,7-8,15H,1-4,6H2,(H,13,16)(H2,12,14,17).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-[2-(hydroxymethyl)cyclohexyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -0.02, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 103860334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).