(2R)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylpropyl)propanamide

C13H22F2N4O — CID 95902904

IUPAC(2R)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)[C@@H](C)N(C)Cc1nccn1C(F)F
InChIInChI=1S/C13H22F2N4O/c1-9(2)7-17-12(20)10(3)18(4)8-11-16-5-6-19(11)13(14)15/h5-6,9-10,13H,7-8H2,1-4H3,(H,17,20)/t10-/m1/s1
InChIKeyZNYZDENQUKCWRF-SNVBAGLBSA-N
MW288.34 g/mol
LogP1.87
Rot. Bonds7

About (2R)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylpropyl)propanamide

(2R)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylpropyl)propanamide (PubChem CID 95902904) has the molecular formula C13H22F2N4O and a molecular weight of 288.34 g/mol. Its IUPAC name is (2R)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylpropyl)propanamide
PubChem CID95902904
Molecular FormulaC13H22F2N4O
Molecular Weight288.34 g/mol
Exact Mass288.18
IUPAC Name(2R)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)[C@@H](C)N(C)Cc1nccn1C(F)F
InChIInChI=1S/C13H22F2N4O/c1-9(2)7-17-12(20)10(3)18(4)8-11-16-5-6-19(11)13(14)15/h5-6,9-10,13H,7-8H2,1-4H3,(H,17,20)/t10-/m1/s1
InChIKeyZNYZDENQUKCWRF-SNVBAGLBSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-cyanophenyl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]propanamide
CID 95902916
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-N,5-dimethylbenzamide
CID 38341813
3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 38343857
2-chloro-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-fluoroacetamide
CID 166428060
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(1-phenylethyl)urea
CID 86998907
2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1-dimethylcyclopropane-1-carboxamide
CID 134050130
5-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylbenzamide
CID 120643126
ethyl 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetate
CID 55024545
2-[(4-aminophenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide
CID 43458328
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide
CID 87013837
1-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride
CID 119853720
(1R)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 95902876

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylpropyl)propanamide?
The IUPAC name of (2R)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylpropyl)propanamide (CID 95902904) is (2R)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for (2R)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for (2R)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)[C@@H](C)N(C)Cc1nccn1C(F)F.
What is the InChIKey of (2R)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylpropyl)propanamide?
The InChIKey is ZNYZDENQUKCWRF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22F2N4O/c1-9(2)7-17-12(20)10(3)18(4)8-11-16-5-6-19(11)13(14)15/h5-6,9-10,13H,7-8H2,1-4H3,(H,17,20)/t10-/m1/s1.
What are the key properties of (2R)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylpropyl)propanamide?
(2R)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylpropyl)propanamide has a molecular weight of 288.34 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 95902904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).