(3-bromofuran-2-yl)-(3-propylimidazol-4-yl)methanol

C11H13BrN2O2 — CID 66129848

IUPAC(3-bromofuran-2-yl)-(3-propylimidazol-4-yl)methanol
SMILESCCCn1cncc1C(O)c1occc1Br
InChIInChI=1S/C11H13BrN2O2/c1-2-4-14-7-13-6-9(14)10(15)11-8(12)3-5-16-11/h3,5-7,10,15H,2,4H2,1H3
InChIKeyLGCXQPBCPSFFHT-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.73
Rot. Bonds4

About (3-bromofuran-2-yl)-(3-propylimidazol-4-yl)methanol

(3-bromofuran-2-yl)-(3-propylimidazol-4-yl)methanol (PubChem CID 66129848) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(3-propylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(3-propylimidazol-4-yl)methanol
PubChem CID66129848
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name(3-bromofuran-2-yl)-(3-propylimidazol-4-yl)methanol
SMILESCCCn1cncc1C(O)c1occc1Br
InChIInChI=1S/C11H13BrN2O2/c1-2-4-14-7-13-6-9(14)10(15)11-8(12)3-5-16-11/h3,5-7,10,15H,2,4H2,1H3
InChIKeyLGCXQPBCPSFFHT-UHFFFAOYSA-N
XLogP2.73
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-propylpyrazol-5-yl)-(3-propylimidazol-4-yl)methanol
CID 114636681
(3-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 114554058
2-(2-bromo-5-fluorophenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 66131048
2-(5-bromo-2-pyridinyl)-1-(3-propylimidazol-4-yl)ethanol
CID 104802227
(3,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol
CID 66131636
(3-propylimidazol-4-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707386
(3,4-difluorophenyl)-(3-propylimidazol-4-yl)methanol
CID 66129636
(2,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol
CID 66132426
(2,5-dichlorophenyl)-(3-propylimidazol-4-yl)methanol
CID 66130445
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-propylimidazol-4-yl)ethanol
CID 66129440
2-[hydroxy-(3-methylimidazol-4-yl)methyl]furan-3-carboxylic acid
CID 107432373
(4-cyclobutylphenyl)-(3-propylimidazol-4-yl)methanol
CID 116505404

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(3-propylimidazol-4-yl)methanol?
The IUPAC name of (3-bromofuran-2-yl)-(3-propylimidazol-4-yl)methanol (CID 66129848) is (3-bromofuran-2-yl)-(3-propylimidazol-4-yl)methanol.
What is the SMILES notation for (3-bromofuran-2-yl)-(3-propylimidazol-4-yl)methanol?
The canonical SMILES for (3-bromofuran-2-yl)-(3-propylimidazol-4-yl)methanol is CCCn1cncc1C(O)c1occc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-(3-propylimidazol-4-yl)methanol?
The InChIKey is LGCXQPBCPSFFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-2-4-14-7-13-6-9(14)10(15)11-8(12)3-5-16-11/h3,5-7,10,15H,2,4H2,1H3.
What are the key properties of (3-bromofuran-2-yl)-(3-propylimidazol-4-yl)methanol?
(3-bromofuran-2-yl)-(3-propylimidazol-4-yl)methanol has a molecular weight of 285.14 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(3-propylimidazol-4-yl)methanol is sourced from PubChem (CID 66129848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).