2-[[1-[(5-bromothiophen-3-yl)methyl]benzimidazol-2-yl]amino]ethanol

C14H14BrN3OS — CID 71895290

IUPAC2-[[1-[(5-bromothiophen-3-yl)methyl]benzimidazol-2-yl]amino]ethanol
SMILESOCCNc1nc2ccccc2n1Cc1csc(Br)c1
InChIInChI=1S/C14H14BrN3OS/c15-13-7-10(9-20-13)8-18-12-4-2-1-3-11(12)17-14(18)16-5-6-19/h1-4,7,9,19H,5-6,8H2,(H,16,17)
InChIKeyOTAJYVKDUYQBIQ-UHFFFAOYSA-N
MW352.26 g/mol
LogP3.31
Rot. Bonds5

About 2-[[1-[(5-bromothiophen-3-yl)methyl]benzimidazol-2-yl]amino]ethanol

2-[[1-[(5-bromothiophen-3-yl)methyl]benzimidazol-2-yl]amino]ethanol (PubChem CID 71895290) has the molecular formula C14H14BrN3OS and a molecular weight of 352.26 g/mol. Its IUPAC name is 2-[[1-[(5-bromothiophen-3-yl)methyl]benzimidazol-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-[(5-bromothiophen-3-yl)methyl]benzimidazol-2-yl]amino]ethanol
PubChem CID71895290
Molecular FormulaC14H14BrN3OS
Molecular Weight352.26 g/mol
Exact Mass351.00
IUPAC Name2-[[1-[(5-bromothiophen-3-yl)methyl]benzimidazol-2-yl]amino]ethanol
SMILESOCCNc1nc2ccccc2n1Cc1csc(Br)c1
InChIInChI=1S/C14H14BrN3OS/c15-13-7-10(9-20-13)8-18-12-4-2-1-3-11(12)17-14(18)16-5-6-19/h1-4,7,9,19H,5-6,8H2,(H,16,17)
InChIKeyOTAJYVKDUYQBIQ-UHFFFAOYSA-N
XLogP3.31
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581
2-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol
CID 51142216
3-fluoro-4-[[2-(2-hydroxyethylamino)benzimidazol-1-yl]methyl]benzonitrile
CID 51295210
1-(4-bromophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrobromide
CID 2851199
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809
2-[[1-[(3-chloro-2-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol
CID 154746527
2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide
CID 17463775
2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride
CID 53313615
2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 51142185
2-[[1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzimidazol-2-yl]amino]ethanol
CID 71918846
N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 51142146
(1R)-1-(2,4-difluorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanol
CID 94379783

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(5-bromothiophen-3-yl)methyl]benzimidazol-2-yl]amino]ethanol?
The IUPAC name of 2-[[1-[(5-bromothiophen-3-yl)methyl]benzimidazol-2-yl]amino]ethanol (CID 71895290) is 2-[[1-[(5-bromothiophen-3-yl)methyl]benzimidazol-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-[(5-bromothiophen-3-yl)methyl]benzimidazol-2-yl]amino]ethanol?
The canonical SMILES for 2-[[1-[(5-bromothiophen-3-yl)methyl]benzimidazol-2-yl]amino]ethanol is OCCNc1nc2ccccc2n1Cc1csc(Br)c1.
What is the InChIKey of 2-[[1-[(5-bromothiophen-3-yl)methyl]benzimidazol-2-yl]amino]ethanol?
The InChIKey is OTAJYVKDUYQBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3OS/c15-13-7-10(9-20-13)8-18-12-4-2-1-3-11(12)17-14(18)16-5-6-19/h1-4,7,9,19H,5-6,8H2,(H,16,17).
What are the key properties of 2-[[1-[(5-bromothiophen-3-yl)methyl]benzimidazol-2-yl]amino]ethanol?
2-[[1-[(5-bromothiophen-3-yl)methyl]benzimidazol-2-yl]amino]ethanol has a molecular weight of 352.26 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(5-bromothiophen-3-yl)methyl]benzimidazol-2-yl]amino]ethanol is sourced from PubChem (CID 71895290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).