N-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylimidazole-2-carboxamide

C13H21N3O2 — CID 164634748

IUPACN-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylimidazole-2-carboxamide
SMILESCCN(C(=O)c1nccn1C)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C13H21N3O2/c1-3-16(10-6-4-5-7-11(10)17)13(18)12-14-8-9-15(12)2/h8-11,17H,3-7H2,1-2H3/t10-,11-/m0/s1
InChIKeyCZFNJKBRWAQMPH-QWRGUYRKSA-N
MW251.33 g/mol
LogP1.19
Rot. Bonds3

About N-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylimidazole-2-carboxamide

N-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylimidazole-2-carboxamide (PubChem CID 164634748) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylimidazole-2-carboxamide
PubChem CID164634748
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylimidazole-2-carboxamide
SMILESCCN(C(=O)c1nccn1C)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C13H21N3O2/c1-3-16(10-6-4-5-7-11(10)17)13(18)12-14-8-9-15(12)2/h8-11,17H,3-7H2,1-2H3/t10-,11-/m0/s1
InChIKeyCZFNJKBRWAQMPH-QWRGUYRKSA-N
XLogP1.19
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 110197507
2-(1H-imidazol-1-yl)cyclohexan-1-ol
CID 13576994
(1S*,2S*)-2-(1H-imidazol-1-yl)cyclohexanol
CID 13576995
(+/-)-trans-2-(Imidazol-1-yl)cyclohexanol
CID 18397574
1-[2-(Hydroxymethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 4876348
N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 91796843
trans-(1R,2R)-2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexan-1-ol
CID 119039399
N-cyclohexyl-N-methyl-2-(2-methylimidazol-1-yl)acetamide
CID 121588906
N-[(2S)-2-ethyl-2,5-dihydroxypentyl]-1-methylimidazole-2-carboxamide
CID 125524192
trans-(1S,2S)-2-(3-butylimidazol-3-ium-1-yl)cyclohexan-1-ol
CID 102090193
(S,s)-1-butyl-3-(2'-hydroxy-cyclohexyl)-3h-imidazol-1-ium tetrafluoroborate
CID 129849915
1-(2-Hydroxycyclohexyl)-3-(4-iodobutyl)-1h-imidazol-3-ium chloride
CID 129850149

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylimidazole-2-carboxamide?
The IUPAC name of N-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylimidazole-2-carboxamide (CID 164634748) is N-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylimidazole-2-carboxamide is CCN(C(=O)c1nccn1C)[C@H]1CCCC[C@@H]1O.
What is the InChIKey of N-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylimidazole-2-carboxamide?
The InChIKey is CZFNJKBRWAQMPH-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-16(10-6-4-5-7-11(10)17)13(18)12-14-8-9-15(12)2/h8-11,17H,3-7H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of N-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylimidazole-2-carboxamide?
N-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylimidazole-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 164634748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).