(3-bromo-2,6-difluorophenyl)-(3-cyclopropylimidazol-4-yl)methanol

C13H11BrF2N2O — CID 106941391

IUPAC(3-bromo-2,6-difluorophenyl)-(3-cyclopropylimidazol-4-yl)methanol
SMILESOC(c1c(F)ccc(Br)c1F)c1cncn1C1CC1
InChIInChI=1S/C13H11BrF2N2O/c14-8-3-4-9(15)11(12(8)16)13(19)10-5-17-6-18(10)7-1-2-7/h3-7,13,19H,1-2H2
InChIKeyVVBBMKUXMGCOSM-UHFFFAOYSA-N
MW329.14 g/mol
LogP3.34
Rot. Bonds3

About (3-bromo-2,6-difluorophenyl)-(3-cyclopropylimidazol-4-yl)methanol

(3-bromo-2,6-difluorophenyl)-(3-cyclopropylimidazol-4-yl)methanol (PubChem CID 106941391) has the molecular formula C13H11BrF2N2O and a molecular weight of 329.14 g/mol. Its IUPAC name is (3-bromo-2,6-difluorophenyl)-(3-cyclopropylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-bromo-2,6-difluorophenyl)-(3-cyclopropylimidazol-4-yl)methanol
PubChem CID106941391
Molecular FormulaC13H11BrF2N2O
Molecular Weight329.14 g/mol
Exact Mass328.00
IUPAC Name(3-bromo-2,6-difluorophenyl)-(3-cyclopropylimidazol-4-yl)methanol
SMILESOC(c1c(F)ccc(Br)c1F)c1cncn1C1CC1
InChIInChI=1S/C13H11BrF2N2O/c14-8-3-4-9(15)11(12(8)16)13(19)10-5-17-6-18(10)7-1-2-7/h3-7,13,19H,1-2H2
InChIKeyVVBBMKUXMGCOSM-UHFFFAOYSA-N
XLogP3.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,6-difluorophenyl)-(3-cyclopropylimidazol-4-yl)methanol?
The IUPAC name of (3-bromo-2,6-difluorophenyl)-(3-cyclopropylimidazol-4-yl)methanol (CID 106941391) is (3-bromo-2,6-difluorophenyl)-(3-cyclopropylimidazol-4-yl)methanol.
What is the SMILES notation for (3-bromo-2,6-difluorophenyl)-(3-cyclopropylimidazol-4-yl)methanol?
The canonical SMILES for (3-bromo-2,6-difluorophenyl)-(3-cyclopropylimidazol-4-yl)methanol is OC(c1c(F)ccc(Br)c1F)c1cncn1C1CC1.
What is the InChIKey of (3-bromo-2,6-difluorophenyl)-(3-cyclopropylimidazol-4-yl)methanol?
The InChIKey is VVBBMKUXMGCOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N2O/c14-8-3-4-9(15)11(12(8)16)13(19)10-5-17-6-18(10)7-1-2-7/h3-7,13,19H,1-2H2.
What are the key properties of (3-bromo-2,6-difluorophenyl)-(3-cyclopropylimidazol-4-yl)methanol?
(3-bromo-2,6-difluorophenyl)-(3-cyclopropylimidazol-4-yl)methanol has a molecular weight of 329.14 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,6-difluorophenyl)-(3-cyclopropylimidazol-4-yl)methanol is sourced from PubChem (CID 106941391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).