1-(difluoromethyl)-3-methylimidazol-2-imine

C5H7F2N3 — CID 167311186

IUPAC1-(difluoromethyl)-3-methylimidazol-2-imine
SMILES[H]/N=c1\n(C)ccn1C(F)F
InChIInChI=1S/C5H7F2N3/c1-9-2-3-10(4(6)7)5(9)8/h2-4,8H,1H3/b8-5+
InChIKeyKEBTXRYDTCNRTD-VMPITWQZSA-N
MW147.13 g/mol
LogP0.70
Rot. Bonds1

About 1-(difluoromethyl)-3-methylimidazol-2-imine

1-(difluoromethyl)-3-methylimidazol-2-imine (PubChem CID 167311186) has the molecular formula C5H7F2N3 and a molecular weight of 147.13 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-methylimidazol-2-imine.

Molecular Properties

Compound Name1-(difluoromethyl)-3-methylimidazol-2-imine
PubChem CID167311186
Molecular FormulaC5H7F2N3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name1-(difluoromethyl)-3-methylimidazol-2-imine
SMILES[H]/N=c1\n(C)ccn1C(F)F
InChIInChI=1S/C5H7F2N3/c1-9-2-3-10(4(6)7)5(9)8/h2-4,8H,1H3/b8-5+
InChIKeyKEBTXRYDTCNRTD-VMPITWQZSA-N
XLogP0.70
TPSA33.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-methylimidazol-2-imine?
The IUPAC name of 1-(difluoromethyl)-3-methylimidazol-2-imine (CID 167311186) is 1-(difluoromethyl)-3-methylimidazol-2-imine.
What is the SMILES notation for 1-(difluoromethyl)-3-methylimidazol-2-imine?
The canonical SMILES for 1-(difluoromethyl)-3-methylimidazol-2-imine is [H]/N=c1\n(C)ccn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-3-methylimidazol-2-imine?
The InChIKey is KEBTXRYDTCNRTD-VMPITWQZSA-N. The full InChI is InChI=1S/C5H7F2N3/c1-9-2-3-10(4(6)7)5(9)8/h2-4,8H,1H3/b8-5+.
What are the key properties of 1-(difluoromethyl)-3-methylimidazol-2-imine?
1-(difluoromethyl)-3-methylimidazol-2-imine has a molecular weight of 147.13 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-methylimidazol-2-imine is sourced from PubChem (CID 167311186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).