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

C13H12BrN3OS — CID 115144095

IUPAC2-[2-[(5-bromothiophen-2-yl)amino]benzimidazol-1-yl]ethanol
SMILESOCCn1c(Nc2ccc(Br)s2)nc2ccccc21
InChIInChI=1S/C13H12BrN3OS/c14-11-5-6-12(19-11)16-13-15-9-3-1-2-4-10(9)17(13)7-8-18/h1-6,18H,7-8H2,(H,15,16)
InChIKeyIQKYRJQNFDOWIV-UHFFFAOYSA-N
MW338.23 g/mol
LogP3.60
Rot. Bonds4

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

2-[2-[(5-bromothiophen-2-yl)amino]benzimidazol-1-yl]ethanol (PubChem CID 115144095) has the molecular formula C13H12BrN3OS and a molecular weight of 338.23 g/mol. Its IUPAC name is 2-[2-[(5-bromothiophen-2-yl)amino]benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(5-bromothiophen-2-yl)amino]benzimidazol-1-yl]ethanol
PubChem CID115144095
Molecular FormulaC13H12BrN3OS
Molecular Weight338.23 g/mol
Exact Mass336.99
IUPAC Name2-[2-[(5-bromothiophen-2-yl)amino]benzimidazol-1-yl]ethanol
SMILESOCCn1c(Nc2ccc(Br)s2)nc2ccccc21
InChIInChI=1S/C13H12BrN3OS/c14-11-5-6-12(19-11)16-13-15-9-3-1-2-4-10(9)17(13)7-8-18/h1-6,18H,7-8H2,(H,15,16)
InChIKeyIQKYRJQNFDOWIV-UHFFFAOYSA-N
XLogP3.60
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(5-bromothiophen-2-yl)amino]benzimidazol-1-yl]ethanol with MolForge

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Related Compounds

tert-butyl 3-[[2-[(5-bromothiophen-2-yl)amino]benzimidazol-1-yl]methyl]azetidine-1-carboxylate
CID 90045422
1-(2-aminoethyl)-N-(4-bromothiophen-2-yl)benzimidazol-2-amine
CID 115144159
2-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol
CID 115144104
3-[2-(methylamino)benzimidazol-1-yl]propan-1-ol
CID 82359483
2-(2-anilinobenzimidazol-1-yl)ethanethiol
CID 135270626
2-[2-(1H-pyrrol-3-ylmethylamino)benzimidazol-1-yl]ethanol
CID 115144119
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
2-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethanol
CID 1068607
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303
2-[[1-[(5-bromothiophen-3-yl)methyl]benzimidazol-2-yl]amino]ethanol
CID 71895290
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809
1-[1-(2-hydroxyethyl)benzimidazol-2-yl]ethanone
CID 12515570

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-bromothiophen-2-yl)amino]benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[(5-bromothiophen-2-yl)amino]benzimidazol-1-yl]ethanol (CID 115144095) is 2-[2-[(5-bromothiophen-2-yl)amino]benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[(5-bromothiophen-2-yl)amino]benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[(5-bromothiophen-2-yl)amino]benzimidazol-1-yl]ethanol is OCCn1c(Nc2ccc(Br)s2)nc2ccccc21.
What is the InChIKey of 2-[2-[(5-bromothiophen-2-yl)amino]benzimidazol-1-yl]ethanol?
The InChIKey is IQKYRJQNFDOWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3OS/c14-11-5-6-12(19-11)16-13-15-9-3-1-2-4-10(9)17(13)7-8-18/h1-6,18H,7-8H2,(H,15,16).
What are the key properties of 2-[2-[(5-bromothiophen-2-yl)amino]benzimidazol-1-yl]ethanol?
2-[2-[(5-bromothiophen-2-yl)amino]benzimidazol-1-yl]ethanol has a molecular weight of 338.23 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-bromothiophen-2-yl)amino]benzimidazol-1-yl]ethanol is sourced from PubChem (CID 115144095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).