2-amino-2-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]ethanol

C11H11ClFN3O — CID 114704013

IUPAC2-amino-2-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]ethanol
SMILESNC(CO)c1cncn1-c1cccc(Cl)c1F
InChIInChI=1S/C11H11ClFN3O/c12-7-2-1-3-9(11(7)13)16-6-15-4-10(16)8(14)5-17/h1-4,6,8,17H,5,14H2
InChIKeyVDFZQIMPTZYJTI-UHFFFAOYSA-N
MW255.68 g/mol
LogP1.66
Rot. Bonds3

About 2-amino-2-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]ethanol

2-amino-2-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]ethanol (PubChem CID 114704013) has the molecular formula C11H11ClFN3O and a molecular weight of 255.68 g/mol. Its IUPAC name is 2-amino-2-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]ethanol
PubChem CID114704013
Molecular FormulaC11H11ClFN3O
Molecular Weight255.68 g/mol
Exact Mass255.06
IUPAC Name2-amino-2-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]ethanol
SMILESNC(CO)c1cncn1-c1cccc(Cl)c1F
InChIInChI=1S/C11H11ClFN3O/c12-7-2-1-3-9(11(7)13)16-6-15-4-10(16)8(14)5-17/h1-4,6,8,17H,5,14H2
InChIKeyVDFZQIMPTZYJTI-UHFFFAOYSA-N
XLogP1.66
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-[3-(2,3-difluorophenyl)imidazol-4-yl]ethanol
CID 114704452
2-amino-2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]ethanol
CID 114703134
2-amino-2-[3-(4-chloro-2-methylphenyl)imidazol-4-yl]ethanol
CID 114703854
2-amino-2-[3-(2,6-dimethyl-3-pyridinyl)imidazol-4-yl]ethanol
CID 114706651
1-[3-(2-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114703387
2-amino-2-(3-pyridin-3-ylimidazol-4-yl)ethanol
CID 114703705
2-amino-2-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]ethanol
CID 114705991
(1S)-1-[3-(2,3-difluorophenyl)imidazol-4-yl]ethanamine
CID 104942363
3-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]pyridin-4-amine
CID 114717814
2-amino-2-[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]ethanol
CID 103293720
1-[3-(2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114703449
2-amino-2-[3-(2,5-diethoxyphenyl)imidazol-4-yl]ethanol
CID 114703016

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]ethanol?
The IUPAC name of 2-amino-2-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]ethanol (CID 114704013) is 2-amino-2-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]ethanol is NC(CO)c1cncn1-c1cccc(Cl)c1F.
What is the InChIKey of 2-amino-2-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]ethanol?
The InChIKey is VDFZQIMPTZYJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O/c12-7-2-1-3-9(11(7)13)16-6-15-4-10(16)8(14)5-17/h1-4,6,8,17H,5,14H2.
What are the key properties of 2-amino-2-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]ethanol?
2-amino-2-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]ethanol has a molecular weight of 255.68 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]ethanol is sourced from PubChem (CID 114704013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).