2-bromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]prop-2-en-1-amine

C8H10BrF2N3 — CID 115641627

IUPAC2-bromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]prop-2-en-1-amine
SMILESC=C(Br)CNCc1nccn1C(F)F
InChIInChI=1S/C8H10BrF2N3/c1-6(9)4-12-5-7-13-2-3-14(7)8(10)11/h2-3,8,12H,1,4-5H2
InChIKeyOIJZGKHQJSDMKF-UHFFFAOYSA-N
MW266.09 g/mol
LogP2.28
Rot. Bonds5

About 2-bromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]prop-2-en-1-amine

2-bromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]prop-2-en-1-amine (PubChem CID 115641627) has the molecular formula C8H10BrF2N3 and a molecular weight of 266.09 g/mol. Its IUPAC name is 2-bromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]prop-2-en-1-amine
PubChem CID115641627
Molecular FormulaC8H10BrF2N3
Molecular Weight266.09 g/mol
Exact Mass265.00
IUPAC Name2-bromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]prop-2-en-1-amine
SMILESC=C(Br)CNCc1nccn1C(F)F
InChIInChI=1S/C8H10BrF2N3/c1-6(9)4-12-5-7-13-2-3-14(7)8(10)11/h2-3,8,12H,1,4-5H2
InChIKeyOIJZGKHQJSDMKF-UHFFFAOYSA-N
XLogP2.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclobutan-1-ol
CID 66006553
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-ethylbutan-1-amine
CID 115641650
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 43111962
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3-dimethylbutan-1-amine
CID 115641541
4-[[1-(difluoromethyl)imidazol-2-yl]methylamino]butanoic acid
CID 43473335
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylsulfinylethanamine
CID 115641707
(2S)-2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-1-ol
CID 79250495
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylethanamine
CID 60721196
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylsulfanylpropan-1-amine
CID 63966469
2-cyclobutyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine
CID 115690184
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-quinolin-8-ylmethanamine
CID 78978768
3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-N-propan-2-ylpropanamide
CID 115641552

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]prop-2-en-1-amine?
The IUPAC name of 2-bromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]prop-2-en-1-amine (CID 115641627) is 2-bromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-bromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for 2-bromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]prop-2-en-1-amine is C=C(Br)CNCc1nccn1C(F)F.
What is the InChIKey of 2-bromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]prop-2-en-1-amine?
The InChIKey is OIJZGKHQJSDMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF2N3/c1-6(9)4-12-5-7-13-2-3-14(7)8(10)11/h2-3,8,12H,1,4-5H2.
What are the key properties of 2-bromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]prop-2-en-1-amine?
2-bromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]prop-2-en-1-amine has a molecular weight of 266.09 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 115641627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).