3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1-difluoropropan-2-amine

C8H13F2N3 — CID 23343281

IUPAC3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1-difluoropropan-2-amine
SMILESCc1nc(CC(N)C(F)F)c(C)[nH]1
InChIInChI=1S/C8H13F2N3/c1-4-7(13-5(2)12-4)3-6(11)8(9)10/h6,8H,3,11H2,1-2H3,(H,12,13)
InChIKeyHCKIMEIEXPZZPW-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.16
Rot. Bonds3

About 3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1-difluoropropan-2-amine

3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1-difluoropropan-2-amine (PubChem CID 23343281) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1-difluoropropan-2-amine.

Molecular Properties

Compound Name3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1-difluoropropan-2-amine
PubChem CID23343281
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1-difluoropropan-2-amine
SMILESCc1nc(CC(N)C(F)F)c(C)[nH]1
InChIInChI=1S/C8H13F2N3/c1-4-7(13-5(2)12-4)3-6(11)8(9)10/h6,8H,3,11H2,1-2H3,(H,12,13)
InChIKeyHCKIMEIEXPZZPW-UHFFFAOYSA-N
XLogP1.16
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazole
CID 13248792
1H-Imidazole-4-ethanamine, alpha,5-dimethyl-
CID 158290
2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole
CID 71695304
2-(4,5,6,7-tetrahydro-1H-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride
CID 13170819
2-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazol-5-amine dihydrochloride
CID 86775639
(5R)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
CID 96635921
2-Amino-5-methylhistamine
CID 145977
2,4,5-Triethylimidazole
CID 19377935
2-methyl-4,5-dipropyl-1H-imidazole
CID 20156512
2,4,5-tripropyl-1H-imidazole
CID 24974633
4-ethyl-2-methyl-5-propyl-1H-imidazole
CID 67591389
2,4,5-tributyl-1H-imidazole
CID 90214593

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1-difluoropropan-2-amine?
The IUPAC name of 3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1-difluoropropan-2-amine (CID 23343281) is 3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1-difluoropropan-2-amine.
What is the SMILES notation for 3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1-difluoropropan-2-amine?
The canonical SMILES for 3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1-difluoropropan-2-amine is Cc1nc(CC(N)C(F)F)c(C)[nH]1.
What is the InChIKey of 3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1-difluoropropan-2-amine?
The InChIKey is HCKIMEIEXPZZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3/c1-4-7(13-5(2)12-4)3-6(11)8(9)10/h6,8H,3,11H2,1-2H3,(H,12,13).
What are the key properties of 3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1-difluoropropan-2-amine?
3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1-difluoropropan-2-amine has a molecular weight of 189.21 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethyl-1H-imidazol-4-yl)-1,1-difluoropropan-2-amine is sourced from PubChem (CID 23343281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).