[2-[(3-bromophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanol

C11H11BrN2OS — CID 66160042

IUPAC[2-[(3-bromophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanol
SMILESOCc1cnc(CSc2cccc(Br)c2)[nH]1
InChIInChI=1S/C11H11BrN2OS/c12-8-2-1-3-10(4-8)16-7-11-13-5-9(6-15)14-11/h1-5,15H,6-7H2,(H,13,14)
InChIKeyPOHXPBNQBPOQTK-UHFFFAOYSA-N
MW299.19 g/mol
LogP2.96
Rot. Bonds4

About [2-[(3-bromophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanol

[2-[(3-bromophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanol (PubChem CID 66160042) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is [2-[(3-bromophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[(3-bromophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanol
PubChem CID66160042
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC Name[2-[(3-bromophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanol
SMILESOCc1cnc(CSc2cccc(Br)c2)[nH]1
InChIInChI=1S/C11H11BrN2OS/c12-8-2-1-3-10(4-8)16-7-11-13-5-9(6-15)14-11/h1-5,15H,6-7H2,(H,13,14)
InChIKeyPOHXPBNQBPOQTK-UHFFFAOYSA-N
XLogP2.96
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(3-bromophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 66160630
N-[[2-[(3-bromophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]propan-1-amine
CID 66160628
ethyl 2-[(3-bromophenyl)sulfanylmethyl]-6-oxo-1H-pyrimidine-5-carboxylate
CID 66158855
[2-[(3-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanamine
CID 66072743
5-bromo-2-[(3-chlorophenyl)sulfanylmethyl]-1H-pyrimidin-6-one
CID 66316784
[2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine
CID 66159246
3-bromo-5-[(3-bromophenyl)sulfanylmethyl]pyridine
CID 115609057
(1S)-1-[2-[(3-bromophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431448
2-[(3-bromophenyl)sulfanylmethyl]-4-chloropyridine
CID 79245716
1-bromo-3-hydroxysulfanylbenzene
CID 142318531
5-bromo-2-[(3-bromophenyl)sulfanylmethyl]-4,6-dichloropyrimidine
CID 66316000
5-(chloromethyl)-2-[(3-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one
CID 114205205

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanol?
The IUPAC name of [2-[(3-bromophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanol (CID 66160042) is [2-[(3-bromophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2-[(3-bromophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2-[(3-bromophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanol is OCc1cnc(CSc2cccc(Br)c2)[nH]1.
What is the InChIKey of [2-[(3-bromophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanol?
The InChIKey is POHXPBNQBPOQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c12-8-2-1-3-10(4-8)16-7-11-13-5-9(6-15)14-11/h1-5,15H,6-7H2,(H,13,14).
What are the key properties of [2-[(3-bromophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanol?
[2-[(3-bromophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanol has a molecular weight of 299.19 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 66160042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).