N-(1H-imidazol-2-ylmethyl)-2-[1-(methylamino)cyclohexyl]acetamide

C13H22N4O — CID 65241416

IUPACN-(1H-imidazol-2-ylmethyl)-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(=O)NCc2ncc[nH]2)CCCCC1
InChIInChI=1S/C13H22N4O/c1-14-13(5-3-2-4-6-13)9-12(18)17-10-11-15-7-8-16-11/h7-8,14H,2-6,9-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyXLNHLOFOOJEIGB-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.34
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-2-[1-(methylamino)cyclohexyl]acetamide

N-(1H-imidazol-2-ylmethyl)-2-[1-(methylamino)cyclohexyl]acetamide (PubChem CID 65241416) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-[1-(methylamino)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-[1-(methylamino)cyclohexyl]acetamide
PubChem CID65241416
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(=O)NCc2ncc[nH]2)CCCCC1
InChIInChI=1S/C13H22N4O/c1-14-13(5-3-2-4-6-13)9-12(18)17-10-11-15-7-8-16-11/h7-8,14H,2-6,9-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyXLNHLOFOOJEIGB-UHFFFAOYSA-N
XLogP1.34
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(methylamino)cyclohexyl]-N-(pyridazin-3-ylmethyl)acetamide
CID 106896114
2-acetamido-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64531448
N-(1H-imidazol-2-ylmethyl)-2-propan-2-yloxyacetamide
CID 112691042
2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64529772
N-(1H-imidazol-2-ylmethyl)-2-methylpyrrolidine-2-carboxamide
CID 64530559
N-(1H-imidazol-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide
CID 64529966
1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 113431054
2-[1-(methylamino)cyclohexyl]-N-(2-pyridin-2-ylethyl)acetamide
CID 65240965
2-[1-(methylamino)cyclohexyl]-N-(2-methylprop-2-enyl)acetamide
CID 114617178
N-[(2R)-2-hydroxypropyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 107220990
N-(1H-imidazol-2-ylmethyl)-2-(prop-2-ynylamino)acetamide
CID 79272188
5-(1H-imidazol-2-ylmethylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 64548154

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-[1-(methylamino)cyclohexyl]acetamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-[1-(methylamino)cyclohexyl]acetamide (CID 65241416) is N-(1H-imidazol-2-ylmethyl)-2-[1-(methylamino)cyclohexyl]acetamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-[1-(methylamino)cyclohexyl]acetamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-[1-(methylamino)cyclohexyl]acetamide is CNC1(CC(=O)NCc2ncc[nH]2)CCCCC1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-[1-(methylamino)cyclohexyl]acetamide?
The InChIKey is XLNHLOFOOJEIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-14-13(5-3-2-4-6-13)9-12(18)17-10-11-15-7-8-16-11/h7-8,14H,2-6,9-10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-[1-(methylamino)cyclohexyl]acetamide?
N-(1H-imidazol-2-ylmethyl)-2-[1-(methylamino)cyclohexyl]acetamide has a molecular weight of 250.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-[1-(methylamino)cyclohexyl]acetamide is sourced from PubChem (CID 65241416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).