2-amino-2-(difluoromethyl)-3-(1H-imidazol-5-yl)pentanamide

C9H14F2N4O — CID 57004124

IUPAC2-amino-2-(difluoromethyl)-3-(1H-imidazol-5-yl)pentanamide
SMILESCCC(c1cnc[nH]1)C(N)(C(N)=O)C(F)F
InChIInChI=1S/C9H14F2N4O/c1-2-5(6-3-14-4-15-6)9(13,7(10)11)8(12)16/h3-5,7H,2,13H2,1H3,(H2,12,16)(H,14,15)
InChIKeySYELXJXSSYTIPK-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.35
Rot. Bonds5

About 2-amino-2-(difluoromethyl)-3-(1H-imidazol-5-yl)pentanamide

2-amino-2-(difluoromethyl)-3-(1H-imidazol-5-yl)pentanamide (PubChem CID 57004124) has the molecular formula C9H14F2N4O and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-amino-2-(difluoromethyl)-3-(1H-imidazol-5-yl)pentanamide.

Molecular Properties

Compound Name2-amino-2-(difluoromethyl)-3-(1H-imidazol-5-yl)pentanamide
PubChem CID57004124
Molecular FormulaC9H14F2N4O
Molecular Weight232.23 g/mol
Exact Mass232.11
IUPAC Name2-amino-2-(difluoromethyl)-3-(1H-imidazol-5-yl)pentanamide
SMILESCCC(c1cnc[nH]1)C(N)(C(N)=O)C(F)F
InChIInChI=1S/C9H14F2N4O/c1-2-5(6-3-14-4-15-6)9(13,7(10)11)8(12)16/h3-5,7H,2,13H2,1H3,(H2,12,16)(H,14,15)
InChIKeySYELXJXSSYTIPK-UHFFFAOYSA-N
XLogP0.35
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(1H-imidazol-5-yl)propan-1-amine
CID 68653540
2-amino-3-(1H-imidazol-5-yl)-4-oxohexanoic acid
CID 174776240
2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride
CID 67550386
3-(1H-imidazol-5-yl)nonyl carbamate
CID 57230034
methyl 2-amino-2-(1H-imidazol-5-yl)acetate
CID 20624250
(2S)-2,5-diamino-3-(1H-imidazol-5-yl)-4-oxohexanoic acid
CID 69387162
2-(1H-imidazol-5-yl)-2-(methylamino)acetic acid
CID 20699086
1-(1H-imidazol-5-yl)-2-methylbutan-1-ol;hydrochloride
CID 55254810
3,3,3-trifluoro-1-(1H-imidazol-5-yl)propan-1-amine
CID 82409786
2-(1H-imidazol-5-yl)-3-methylpentan-1-ol
CID 138636606
5-octan-3-yl-1H-imidazole
CID 57097336
1-(cyclobutylmethyl)-3-[1-(1H-imidazol-5-yl)propoxy]urea
CID 23219018

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(difluoromethyl)-3-(1H-imidazol-5-yl)pentanamide?
The IUPAC name of 2-amino-2-(difluoromethyl)-3-(1H-imidazol-5-yl)pentanamide (CID 57004124) is 2-amino-2-(difluoromethyl)-3-(1H-imidazol-5-yl)pentanamide.
What is the SMILES notation for 2-amino-2-(difluoromethyl)-3-(1H-imidazol-5-yl)pentanamide?
The canonical SMILES for 2-amino-2-(difluoromethyl)-3-(1H-imidazol-5-yl)pentanamide is CCC(c1cnc[nH]1)C(N)(C(N)=O)C(F)F.
What is the InChIKey of 2-amino-2-(difluoromethyl)-3-(1H-imidazol-5-yl)pentanamide?
The InChIKey is SYELXJXSSYTIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O/c1-2-5(6-3-14-4-15-6)9(13,7(10)11)8(12)16/h3-5,7H,2,13H2,1H3,(H2,12,16)(H,14,15).
What are the key properties of 2-amino-2-(difluoromethyl)-3-(1H-imidazol-5-yl)pentanamide?
2-amino-2-(difluoromethyl)-3-(1H-imidazol-5-yl)pentanamide has a molecular weight of 232.23 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(difluoromethyl)-3-(1H-imidazol-5-yl)pentanamide is sourced from PubChem (CID 57004124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).