2-amino-2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]ethanol

C11H12ClN3O — CID 138732693

IUPAC2-amino-2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]ethanol
SMILESNC(CO)c1ccc(Cl)c(-c2ncc[nH]2)c1
InChIInChI=1S/C11H12ClN3O/c12-9-2-1-7(10(13)6-16)5-8(9)11-14-3-4-15-11/h1-5,10,16H,6,13H2,(H,14,15)
InChIKeyOXAMCQDYXYZQIF-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.72
Rot. Bonds3

About 2-amino-2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]ethanol

2-amino-2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]ethanol (PubChem CID 138732693) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-amino-2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]ethanol
PubChem CID138732693
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-amino-2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]ethanol
SMILESNC(CO)c1ccc(Cl)c(-c2ncc[nH]2)c1
InChIInChI=1S/C11H12ClN3O/c12-9-2-1-7(10(13)6-16)5-8(9)11-14-3-4-15-11/h1-5,10,16H,6,13H2,(H,14,15)
InChIKeyOXAMCQDYXYZQIF-UHFFFAOYSA-N
XLogP1.72
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenyl)-1H-imidazole
CID 67618991
(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride
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(2R)-2-amino-2-[4-(3,4-dichlorophenyl)phenyl]ethanol
CID 66515616
(2S)-2-amino-2-[4-chloro-3-(1-methyltetrazol-5-yl)phenyl]ethanol
CID 159173257
4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol
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4-chloro-2-(1H-imidazol-2-yl)aniline
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2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride
CID 71757971
2-amino-2-(4-chloro-3-ethylphenyl)ethanol
CID 166687598
2-amino-2-(4-bromo-3-chlorophenyl)ethanol
CID 77130463
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
2-amino-2-(3H-benzimidazol-5-yl)ethanol
CID 70374087
(2S)-2-amino-2-(3H-benzimidazol-5-yl)ethanol
CID 96741805

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]ethanol?
The IUPAC name of 2-amino-2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]ethanol (CID 138732693) is 2-amino-2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]ethanol.
What is the SMILES notation for 2-amino-2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]ethanol?
The canonical SMILES for 2-amino-2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]ethanol is NC(CO)c1ccc(Cl)c(-c2ncc[nH]2)c1.
What is the InChIKey of 2-amino-2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]ethanol?
The InChIKey is OXAMCQDYXYZQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-9-2-1-7(10(13)6-16)5-8(9)11-14-3-4-15-11/h1-5,10,16H,6,13H2,(H,14,15).
What are the key properties of 2-amino-2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]ethanol?
2-amino-2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]ethanol has a molecular weight of 237.69 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]ethanol is sourced from PubChem (CID 138732693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).