2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide

C16H25F2N5O2 — CID 60500424

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
SMILESCC1CCCCC1NC(=O)NC(=O)CN(C)Cc1nccn1C(F)F
InChIInChI=1S/C16H25F2N5O2/c1-11-5-3-4-6-12(11)20-16(25)21-14(24)10-22(2)9-13-19-7-8-23(13)15(17)18/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H2,20,21,24,25)
InChIKeyXCHMYLZUNFNJGQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.11
Rot. Bonds6

About 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide

2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide (PubChem CID 60500424) has the molecular formula C16H25F2N5O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
PubChem CID60500424
Molecular FormulaC16H25F2N5O2
Molecular Weight357.41 g/mol
Exact Mass357.20
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
SMILESCC1CCCCC1NC(=O)NC(=O)CN(C)Cc1nccn1C(F)F
InChIInChI=1S/C16H25F2N5O2/c1-11-5-3-4-6-12(11)20-16(25)21-14(24)10-22(2)9-13-19-7-8-23(13)15(17)18/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H2,20,21,24,25)
InChIKeyXCHMYLZUNFNJGQ-UHFFFAOYSA-N
XLogP2.11
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide
CID 87013837
2-[cyanomethyl(methyl)amino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 60616778
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide
CID 60500430
N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-methylsulfanylacetamide
CID 94157809
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60500196
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119853701
N-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251711
2-[(4-bromophenyl)methyl-methylamino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8709638
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 86999028
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7829056
N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide
CID 8677114
N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 8706857

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide (CID 60500424) is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide is CC1CCCCC1NC(=O)NC(=O)CN(C)Cc1nccn1C(F)F.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
The InChIKey is XCHMYLZUNFNJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N5O2/c1-11-5-3-4-6-12(11)20-16(25)21-14(24)10-22(2)9-13-19-7-8-23(13)15(17)18/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H2,20,21,24,25).
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide is sourced from PubChem (CID 60500424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).