1-(4-bromo-5-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanol

C15H15BrN2OS — CID 102829570

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
SMILESCc1sc(C(O)Cc2nc3ccccc3n2C)cc1Br
InChIInChI=1S/C15H15BrN2OS/c1-9-10(16)7-14(20-9)13(19)8-15-17-11-5-3-4-6-12(11)18(15)2/h3-7,13,19H,8H2,1-2H3
InChIKeyKEJLQFUCTRETLF-UHFFFAOYSA-N
MW351.27 g/mol
LogP3.98
Rot. Bonds3

About 1-(4-bromo-5-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanol

1-(4-bromo-5-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanol (PubChem CID 102829570) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
PubChem CID102829570
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
SMILESCc1sc(C(O)Cc2nc3ccccc3n2C)cc1Br
InChIInChI=1S/C15H15BrN2OS/c1-9-10(16)7-14(20-9)13(19)8-15-17-11-5-3-4-6-12(11)18(15)2/h3-7,13,19H,8H2,1-2H3
InChIKeyKEJLQFUCTRETLF-UHFFFAOYSA-N
XLogP3.98
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 115818511
[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 105321073
1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79754597
1-(4-chloro-3-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 115818504
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 105111437
1-(furan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79753671
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
(1R)-1-[4-(dimethylamino)phenyl]-2-(1-methylbenzimidazol-2-yl)ethanol
CID 702567
[1-(2,5-dibromothiophen-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 107970439
1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol
CID 79754354
1-(1-methylbenzimidazol-2-yl)-3-phenylpropan-2-ol
CID 79753827

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanol (CID 102829570) is 1-(4-bromo-5-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanol is Cc1sc(C(O)Cc2nc3ccccc3n2C)cc1Br.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The InChIKey is KEJLQFUCTRETLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c1-9-10(16)7-14(20-9)13(19)8-15-17-11-5-3-4-6-12(11)18(15)2/h3-7,13,19H,8H2,1-2H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanol?
1-(4-bromo-5-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanol has a molecular weight of 351.27 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 102829570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).