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

C12H19N3O3 — CID 112699653

IUPACN-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(NCC1(CO)CCCCC1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C12H19N3O3/c16-8-12(4-2-1-3-5-12)7-14-10(17)9-6-13-11(18)15-9/h6,16H,1-5,7-8H2,(H,14,17)(H2,13,15,18)
InChIKeyKCBTUBNUIYWMNY-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.38
Rot. Bonds4

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

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 112699653) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID112699653
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(NCC1(CO)CCCCC1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C12H19N3O3/c16-8-12(4-2-1-3-5-12)7-14-10(17)9-6-13-11(18)15-9/h6,16H,1-5,7-8H2,(H,14,17)(H2,13,15,18)
InChIKeyKCBTUBNUIYWMNY-UHFFFAOYSA-N
XLogP0.38
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 107302271
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-nitro-1H-pyrrole-2-carboxamide
CID 115701147
4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
CID 80717603
4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide
CID 113359537
4-chloro-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1H-indole-2-carboxamide
CID 77096829
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 43600591
2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103890643
3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701177
3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701272
2-[[1-(hydroxymethyl)cyclohexyl]methylcarbamoyl]benzoic acid
CID 103965490
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 112699813
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 115362145

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 112699653) is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is O=C(NCC1(CO)CCCCC1)c1c[nH]c(=O)[nH]1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is KCBTUBNUIYWMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c16-8-12(4-2-1-3-5-12)7-14-10(17)9-6-13-11(18)15-9/h6,16H,1-5,7-8H2,(H,14,17)(H2,13,15,18).
What are the key properties of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.38, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 112699653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).