1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyloxan-4-yl)methyl]methanamine

C12H19F2N3O — CID 103743635

IUPAC1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyloxan-4-yl)methyl]methanamine
SMILESCC1(CNCc2nccn2C(F)F)CCOCC1
InChIInChI=1S/C12H19F2N3O/c1-12(2-6-18-7-3-12)9-15-8-10-16-4-5-17(10)11(13)14/h4-5,11,15H,2-3,6-9H2,1H3
InChIKeyDSSAOONFSHVXAJ-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.18
Rot. Bonds5

About 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyloxan-4-yl)methyl]methanamine

1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyloxan-4-yl)methyl]methanamine (PubChem CID 103743635) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyloxan-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyloxan-4-yl)methyl]methanamine
PubChem CID103743635
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyloxan-4-yl)methyl]methanamine
SMILESCC1(CNCc2nccn2C(F)F)CCOCC1
InChIInChI=1S/C12H19F2N3O/c1-12(2-6-18-7-3-12)9-15-8-10-16-4-5-17(10)11(13)14/h4-5,11,15H,2-3,6-9H2,1H3
InChIKeyDSSAOONFSHVXAJ-UHFFFAOYSA-N
XLogP2.18
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyloxan-4-yl)methyl]methanamine?
The IUPAC name of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyloxan-4-yl)methyl]methanamine (CID 103743635) is 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyloxan-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyloxan-4-yl)methyl]methanamine?
The canonical SMILES for 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyloxan-4-yl)methyl]methanamine is CC1(CNCc2nccn2C(F)F)CCOCC1.
What is the InChIKey of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyloxan-4-yl)methyl]methanamine?
The InChIKey is DSSAOONFSHVXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c1-12(2-6-18-7-3-12)9-15-8-10-16-4-5-17(10)11(13)14/h4-5,11,15H,2-3,6-9H2,1H3.
What are the key properties of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyloxan-4-yl)methyl]methanamine?
1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyloxan-4-yl)methyl]methanamine has a molecular weight of 259.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyloxan-4-yl)methyl]methanamine is sourced from PubChem (CID 103743635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).