1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]ethanol

C11H13F2N3O — CID 79102211

IUPAC1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]ethanol
SMILESCC(O)c1ccn(Cc2nccn2C(F)F)c1
InChIInChI=1S/C11H13F2N3O/c1-8(17)9-2-4-15(6-9)7-10-14-3-5-16(10)11(12)13/h2-6,8,11,17H,7H2,1H3
InChIKeySLTIXDBCZQQFIQ-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.18
Rot. Bonds4

About 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]ethanol

1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]ethanol (PubChem CID 79102211) has the molecular formula C11H13F2N3O and a molecular weight of 241.24 g/mol. Its IUPAC name is 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]ethanol
PubChem CID79102211
Molecular FormulaC11H13F2N3O
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]ethanol
SMILESCC(O)c1ccn(Cc2nccn2C(F)F)c1
InChIInChI=1S/C11H13F2N3O/c1-8(17)9-2-4-15(6-9)7-10-14-3-5-16(10)11(12)13/h2-6,8,11,17H,7H2,1H3
InChIKeySLTIXDBCZQQFIQ-UHFFFAOYSA-N
XLogP2.18
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
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-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]ethanol?
The IUPAC name of 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]ethanol (CID 79102211) is 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]ethanol.
What is the SMILES notation for 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]ethanol?
The canonical SMILES for 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]ethanol is CC(O)c1ccn(Cc2nccn2C(F)F)c1.
What is the InChIKey of 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]ethanol?
The InChIKey is SLTIXDBCZQQFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O/c1-8(17)9-2-4-15(6-9)7-10-14-3-5-16(10)11(12)13/h2-6,8,11,17H,7H2,1H3.
What are the key properties of 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]ethanol?
1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]ethanol has a molecular weight of 241.24 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrol-3-yl]ethanol is sourced from PubChem (CID 79102211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).