N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-1H-imidazole-5-carboxamide

C11H16FN3O — CID 126791063

IUPACN-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)N[C@@H]2CCCC[C@H]2F)[nH]1
InChIInChI=1S/C11H16FN3O/c1-7-13-6-10(14-7)11(16)15-9-5-3-2-4-8(9)12/h6,8-9H,2-5H2,1H3,(H,13,14)(H,15,16)/t8-,9-/m1/s1
InChIKeyDWSNDXATKYBVNH-RKDXNWHRSA-N
MW225.27 g/mol
LogP1.73
Rot. Bonds2

About N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-1H-imidazole-5-carboxamide

N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-1H-imidazole-5-carboxamide (PubChem CID 126791063) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-1H-imidazole-5-carboxamide
PubChem CID126791063
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC NameN-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)N[C@@H]2CCCC[C@H]2F)[nH]1
InChIInChI=1S/C11H16FN3O/c1-7-13-6-10(14-7)11(16)15-9-5-3-2-4-8(9)12/h6,8-9H,2-5H2,1H3,(H,13,14)(H,15,16)/t8-,9-/m1/s1
InChIKeyDWSNDXATKYBVNH-RKDXNWHRSA-N
XLogP1.73
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-methyl-1H-imidazole-5-carboxamide
CID 167972971
cis-methyl (1R,2S)-2-[(2-ethyl-1H-imidazole-5-carbonyl)amino]cycloheptane-1-carboxylate
CID 97054105
N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 156604629
N-(2-fluorocyclopentyl)pyrimidine-4-carboxamide
CID 126856421
2-methyl-1H-imidazole-5-carboxylic acid;dihydrate
CID 69419539
2-methyl-N-(2-piperidin-1-ylethyl)-1H-imidazole-5-carboxamide
CID 138993912
N-(2-ethylcyclohexyl)-6-oxo-1H-pyridine-2-carboxamide
CID 114040337
3-amino-N-(2-fluorocyclopentyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351048
N-(2-hydroxypropyl)-2-methyl-1H-imidazole-5-carboxamide
CID 110467419
2-methyl-N-(4-pyrrolidin-1-ylbutyl)-1H-imidazole-5-carboxamide
CID 110467554
2-[[(1R,2R)-2-fluorocyclohexyl]amino]-2-oxoacetic acid
CID 130680345
N-[[(1R,2S,8R,9S)-11-cyclopentyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide
CID 171915252

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-1H-imidazole-5-carboxamide (CID 126791063) is N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-1H-imidazole-5-carboxamide is Cc1ncc(C(=O)N[C@@H]2CCCC[C@H]2F)[nH]1.
What is the InChIKey of N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-1H-imidazole-5-carboxamide?
The InChIKey is DWSNDXATKYBVNH-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-7-13-6-10(14-7)11(16)15-9-5-3-2-4-8(9)12/h6,8-9H,2-5H2,1H3,(H,13,14)(H,15,16)/t8-,9-/m1/s1.
What are the key properties of N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-1H-imidazole-5-carboxamide?
N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-1H-imidazole-5-carboxamide has a molecular weight of 225.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 126791063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).