1-[2-(difluoromethyl)-1H-imidazol-5-yl]propan-2-amine

C7H11F2N3 — CID 84766825

IUPAC1-[2-(difluoromethyl)-1H-imidazol-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(C(F)F)[nH]1
InChIInChI=1S/C7H11F2N3/c1-4(10)2-5-3-11-7(12-5)6(8)9/h3-4,6H,2,10H2,1H3,(H,11,12)
InChIKeyMHLGLRCZYRAEFM-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.24
Rot. Bonds3

About 1-[2-(difluoromethyl)-1H-imidazol-5-yl]propan-2-amine

1-[2-(difluoromethyl)-1H-imidazol-5-yl]propan-2-amine (PubChem CID 84766825) has the molecular formula C7H11F2N3 and a molecular weight of 175.18 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-1H-imidazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-1H-imidazol-5-yl]propan-2-amine
PubChem CID84766825
Molecular FormulaC7H11F2N3
Molecular Weight175.18 g/mol
Exact Mass175.09
IUPAC Name1-[2-(difluoromethyl)-1H-imidazol-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(C(F)F)[nH]1
InChIInChI=1S/C7H11F2N3/c1-4(10)2-5-3-11-7(12-5)6(8)9/h3-4,6H,2,10H2,1H3,(H,11,12)
InChIKeyMHLGLRCZYRAEFM-UHFFFAOYSA-N
XLogP1.24
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanamine
CID 84763864
1-(2-phenyl-1H-imidazol-5-yl)propan-2-amine;hydrochloride
CID 170894357
5-[(2R)-2-aminopropyl]-1H-imidazole-2-carboxylic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 87432823
5-[1-(2-propan-2-yl-1H-imidazol-5-yl)propan-2-yl]-1H-1,2,4-triazole
CID 174154504
(2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride
CID 53313193
1-(5-bromo-1H-imidazol-2-yl)propan-2-amine
CID 83881752
5-ethyl-2-propan-2-yl-1H-imidazole;molecular hydrogen
CID 169266743
N,3-dimethyl-2-[5-(2-methylpropyl)-1H-imidazol-2-yl]butan-1-amine
CID 116883014
1-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]propan-2-amine
CID 84769786
4-methyl-1-(2-methyl-1H-imidazol-5-yl)pentan-2-amine
CID 62753192
3-(5-ethyl-1H-imidazol-2-yl)butan-1-amine
CID 116876985
3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propan-1-amine
CID 84658193

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-1H-imidazol-5-yl]propan-2-amine?
The IUPAC name of 1-[2-(difluoromethyl)-1H-imidazol-5-yl]propan-2-amine (CID 84766825) is 1-[2-(difluoromethyl)-1H-imidazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(difluoromethyl)-1H-imidazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[2-(difluoromethyl)-1H-imidazol-5-yl]propan-2-amine is CC(N)Cc1cnc(C(F)F)[nH]1.
What is the InChIKey of 1-[2-(difluoromethyl)-1H-imidazol-5-yl]propan-2-amine?
The InChIKey is MHLGLRCZYRAEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3/c1-4(10)2-5-3-11-7(12-5)6(8)9/h3-4,6H,2,10H2,1H3,(H,11,12).
What are the key properties of 1-[2-(difluoromethyl)-1H-imidazol-5-yl]propan-2-amine?
1-[2-(difluoromethyl)-1H-imidazol-5-yl]propan-2-amine has a molecular weight of 175.18 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-1H-imidazol-5-yl]propan-2-amine is sourced from PubChem (CID 84766825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).