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

C11H12ClN3O — CID 116881536

IUPAC2-amino-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethanol
SMILESNC(CO)c1ncc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C11H12ClN3O/c12-8-3-1-7(2-4-8)10-5-14-11(15-10)9(13)6-16/h1-5,9,16H,6,13H2,(H,14,15)
InChIKeyXGBVOZZSKILBJH-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.72
Rot. Bonds3

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

2-amino-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethanol (PubChem CID 116881536) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-amino-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethanol
PubChem CID116881536
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-amino-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethanol
SMILESNC(CO)c1ncc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C11H12ClN3O/c12-8-3-1-7(2-4-8)10-5-14-11(15-10)9(13)6-16/h1-5,9,16H,6,13H2,(H,14,15)
InChIKeyXGBVOZZSKILBJH-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-chloro-5-(4-chlorophenyl)-1H-imidazole
CID 30033002
3-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 116881794
5-(4-chlorophenyl)-1H-imidazole-2-carboxamide
CID 116883933
2-amino-2-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanol
CID 116881580
1-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine
CID 62476987
(1S)-1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]heptan-1-amine
CID 67214436
1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-phenylethanamine
CID 43650613
(1R)-3-phenyl-1-[5-(4-phenylphenyl)-1H-imidazol-2-yl]propan-1-amine;hydrochloride
CID 159178971
2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]acetonitrile
CID 96610326
1-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine
CID 62476983
1-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine
CID 62477508
3-methyl-1-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]butan-1-amine
CID 43651267

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethanol?
The IUPAC name of 2-amino-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethanol (CID 116881536) is 2-amino-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethanol.
What is the SMILES notation for 2-amino-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethanol?
The canonical SMILES for 2-amino-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethanol is NC(CO)c1ncc(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 2-amino-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethanol?
The InChIKey is XGBVOZZSKILBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-8-3-1-7(2-4-8)10-5-14-11(15-10)9(13)6-16/h1-5,9,16H,6,13H2,(H,14,15).
What are the key properties of 2-amino-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethanol?
2-amino-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]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-[5-(4-chlorophenyl)-1H-imidazol-2-yl]ethanol is sourced from PubChem (CID 116881536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).