2-amino-2-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanol

C9H10BrN3OS — CID 116881580

IUPAC2-amino-2-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanol
SMILESNC(CO)c1ncc(-c2cc(Br)cs2)[nH]1
InChIInChI=1S/C9H10BrN3OS/c10-5-1-8(15-4-5)7-2-12-9(13-7)6(11)3-14/h1-2,4,6,14H,3,11H2,(H,12,13)
InChIKeyNWVFEUNOEJSYSF-UHFFFAOYSA-N
MW288.17 g/mol
LogP1.89
Rot. Bonds3

About 2-amino-2-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanol

2-amino-2-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanol (PubChem CID 116881580) has the molecular formula C9H10BrN3OS and a molecular weight of 288.17 g/mol. Its IUPAC name is 2-amino-2-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanol
PubChem CID116881580
Molecular FormulaC9H10BrN3OS
Molecular Weight288.17 g/mol
Exact Mass286.97
IUPAC Name2-amino-2-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanol
SMILESNC(CO)c1ncc(-c2cc(Br)cs2)[nH]1
InChIInChI=1S/C9H10BrN3OS/c10-5-1-8(15-4-5)7-2-12-9(13-7)6(11)3-14/h1-2,4,6,14H,3,11H2,(H,12,13)
InChIKeyNWVFEUNOEJSYSF-UHFFFAOYSA-N
XLogP1.89
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanone
CID 116880680
2-amino-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethanol
CID 116881536
(2S)-2-amino-2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915736
1-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]cyclopropane-1-carboxylic acid
CID 116881964
2-amino-2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]ethanol
CID 116881587
1-(5-thiophen-2-yl-1H-imidazol-2-yl)propan-1-amine
CID 43649951
4-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]piperidine
CID 82308947
1-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]propan-1-amine
CID 43649887
5-(4-bromothiophen-2-yl)-1H-pyrazol-3-amine
CID 82478306
2-amino-2-[5-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-1H-imidazol-2-yl]ethanol
CID 141479548
1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-phenylethanamine
CID 43650613
2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-ol
CID 116882842

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanol?
The IUPAC name of 2-amino-2-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanol (CID 116881580) is 2-amino-2-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanol.
What is the SMILES notation for 2-amino-2-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanol?
The canonical SMILES for 2-amino-2-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanol is NC(CO)c1ncc(-c2cc(Br)cs2)[nH]1.
What is the InChIKey of 2-amino-2-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanol?
The InChIKey is NWVFEUNOEJSYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3OS/c10-5-1-8(15-4-5)7-2-12-9(13-7)6(11)3-14/h1-2,4,6,14H,3,11H2,(H,12,13).
What are the key properties of 2-amino-2-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanol?
2-amino-2-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanol has a molecular weight of 288.17 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanol is sourced from PubChem (CID 116881580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).