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

C13H22F2N4O — CID 87013837

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN(C)Cc1nccn1C(F)F
InChIInChI=1S/C13H22F2N4O/c1-5-13(2,3)17-11(20)9-18(4)8-10-16-6-7-19(10)12(14)15/h6-7,12H,5,8-9H2,1-4H3,(H,17,20)
InChIKeyPDPMBTSGKWRPRP-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.01
Rot. Bonds7

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

2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 87013837) has the molecular formula C13H22F2N4O and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide
PubChem CID87013837
Molecular FormulaC13H22F2N4O
Molecular Weight288.34 g/mol
Exact Mass288.18
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN(C)Cc1nccn1C(F)F
InChIInChI=1S/C13H22F2N4O/c1-5-13(2,3)17-11(20)9-18(4)8-10-16-6-7-19(10)12(14)15/h6-7,12H,5,8-9H2,1-4H3,(H,17,20)
InChIKeyPDPMBTSGKWRPRP-UHFFFAOYSA-N
XLogP2.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetate
CID 55024545
2-[[2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetyl]-methylamino]-N-propylacetamide
CID 87013866
N-(5-chloro-2-fluorophenyl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide
CID 71986610
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide
CID 16577066
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 38302528
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 60500424
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide
CID 60500430
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-piperazin-1-ylethanone;dihydrochloride
CID 119915287
2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylbutanoic acid
CID 79801645
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]ethanone
CID 60500161
3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutanamide
CID 113429156
(2R)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylpropyl)propanamide
CID 95902904

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide (CID 87013837) is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CN(C)Cc1nccn1C(F)F.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is PDPMBTSGKWRPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N4O/c1-5-13(2,3)17-11(20)9-18(4)8-10-16-6-7-19(10)12(14)15/h6-7,12H,5,8-9H2,1-4H3,(H,17,20).
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide?
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 288.34 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 87013837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).