2-[(3-cyclohexylimidazol-4-yl)methyl-methylamino]acetamide

C13H22N4O — CID 91829844

IUPAC2-[(3-cyclohexylimidazol-4-yl)methyl-methylamino]acetamide
SMILESCN(CC(N)=O)Cc1cncn1C1CCCCC1
InChIInChI=1S/C13H22N4O/c1-16(9-13(14)18)8-12-7-15-10-17(12)11-5-3-2-4-6-11/h7,10-11H,2-6,8-9H2,1H3,(H2,14,18)
InChIKeyQJXBLGODLZLARJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.31
Rot. Bonds5

About 2-[(3-cyclohexylimidazol-4-yl)methyl-methylamino]acetamide

2-[(3-cyclohexylimidazol-4-yl)methyl-methylamino]acetamide (PubChem CID 91829844) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[(3-cyclohexylimidazol-4-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[(3-cyclohexylimidazol-4-yl)methyl-methylamino]acetamide
PubChem CID91829844
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[(3-cyclohexylimidazol-4-yl)methyl-methylamino]acetamide
SMILESCN(CC(N)=O)Cc1cncn1C1CCCCC1
InChIInChI=1S/C13H22N4O/c1-16(9-13(14)18)8-12-7-15-10-17(12)11-5-3-2-4-6-11/h7,10-11H,2-6,8-9H2,1H3,(H2,14,18)
InChIKeyQJXBLGODLZLARJ-UHFFFAOYSA-N
XLogP1.31
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-isobutyl-1H-imidazol-5-yl)methyl]-3-piperidinamine dihydrochloride
CID 56701558
7-(2-Pyrrolidin-1-ylpropanoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 56915004
N-[2-(1-cyclopentyl-5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 110203798
7-(Azocan-1-ylacetyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 56903270
N-[2-(1-cyclohexyl-5-methylimidazol-2-yl)ethyl]acetamide
CID 110203800
N-[2-(1-cycloheptyl-5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 110203801
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]cyclobutanecarboxamide
CID 60311760
2-{4-[(1-isopropyl-1H-imidazol-5-yl)methyl]piperazin-1-yl}-N-methylacetamide
CID 77085402
N~2~-[(dimethylamino)carbonyl]-N~1~-[(1-isobutyl-1H-imidazol-5-yl)methyl]glycinamide
CID 91783805
N-{1-[(1-ethyl-1H-imidazol-5-yl)methyl]piperidin-3-yl}acetamide
CID 91832048
1-[(1-cyclopropyl-1H-imidazol-5-yl)methyl]-N-methylpiperidine-2-carboxamide
CID 91832182
1-[(1-cyclohexyl-1H-imidazol-5-yl)methyl]piperazine
CID 91839083

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclohexylimidazol-4-yl)methyl-methylamino]acetamide?
The IUPAC name of 2-[(3-cyclohexylimidazol-4-yl)methyl-methylamino]acetamide (CID 91829844) is 2-[(3-cyclohexylimidazol-4-yl)methyl-methylamino]acetamide.
What is the SMILES notation for 2-[(3-cyclohexylimidazol-4-yl)methyl-methylamino]acetamide?
The canonical SMILES for 2-[(3-cyclohexylimidazol-4-yl)methyl-methylamino]acetamide is CN(CC(N)=O)Cc1cncn1C1CCCCC1.
What is the InChIKey of 2-[(3-cyclohexylimidazol-4-yl)methyl-methylamino]acetamide?
The InChIKey is QJXBLGODLZLARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16(9-13(14)18)8-12-7-15-10-17(12)11-5-3-2-4-6-11/h7,10-11H,2-6,8-9H2,1H3,(H2,14,18).
What are the key properties of 2-[(3-cyclohexylimidazol-4-yl)methyl-methylamino]acetamide?
2-[(3-cyclohexylimidazol-4-yl)methyl-methylamino]acetamide has a molecular weight of 250.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclohexylimidazol-4-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 91829844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).