1-(benzimidazol-1-yl)-3-(5-bromothiophen-2-yl)propan-2-ol

C14H13BrN2OS — CID 105087259

IUPAC1-(benzimidazol-1-yl)-3-(5-bromothiophen-2-yl)propan-2-ol
SMILESOC(Cc1ccc(Br)s1)Cn1cnc2ccccc21
InChIInChI=1S/C14H13BrN2OS/c15-14-6-5-11(19-14)7-10(18)8-17-9-16-12-3-1-2-4-13(12)17/h1-6,9-10,18H,7-8H2
InChIKeyHSXUULXVQUXBBG-UHFFFAOYSA-N
MW337.24 g/mol
LogP3.46
Rot. Bonds4

About 1-(benzimidazol-1-yl)-3-(5-bromothiophen-2-yl)propan-2-ol

1-(benzimidazol-1-yl)-3-(5-bromothiophen-2-yl)propan-2-ol (PubChem CID 105087259) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-(5-bromothiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-(5-bromothiophen-2-yl)propan-2-ol
PubChem CID105087259
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC Name1-(benzimidazol-1-yl)-3-(5-bromothiophen-2-yl)propan-2-ol
SMILESOC(Cc1ccc(Br)s1)Cn1cnc2ccccc21
InChIInChI=1S/C14H13BrN2OS/c15-14-6-5-11(19-14)7-10(18)8-17-9-16-12-3-1-2-4-13(12)17/h1-6,9-10,18H,7-8H2
InChIKeyHSXUULXVQUXBBG-UHFFFAOYSA-N
XLogP3.46
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-(5-bromothiophen-2-yl)propan-2-ol?
The IUPAC name of 1-(benzimidazol-1-yl)-3-(5-bromothiophen-2-yl)propan-2-ol (CID 105087259) is 1-(benzimidazol-1-yl)-3-(5-bromothiophen-2-yl)propan-2-ol.
What is the SMILES notation for 1-(benzimidazol-1-yl)-3-(5-bromothiophen-2-yl)propan-2-ol?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-(5-bromothiophen-2-yl)propan-2-ol is OC(Cc1ccc(Br)s1)Cn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-(5-bromothiophen-2-yl)propan-2-ol?
The InChIKey is HSXUULXVQUXBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2OS/c15-14-6-5-11(19-14)7-10(18)8-17-9-16-12-3-1-2-4-13(12)17/h1-6,9-10,18H,7-8H2.
What are the key properties of 1-(benzimidazol-1-yl)-3-(5-bromothiophen-2-yl)propan-2-ol?
1-(benzimidazol-1-yl)-3-(5-bromothiophen-2-yl)propan-2-ol has a molecular weight of 337.24 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-3-(5-bromothiophen-2-yl)propan-2-ol is sourced from PubChem (CID 105087259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).