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

C12H14ClN3O — CID 114703854

IUPAC2-amino-2-[3-(4-chloro-2-methylphenyl)imidazol-4-yl]ethanol
SMILESCc1cc(Cl)ccc1-n1cncc1C(N)CO
InChIInChI=1S/C12H14ClN3O/c1-8-4-9(13)2-3-11(8)16-7-15-5-12(16)10(14)6-17/h2-5,7,10,17H,6,14H2,1H3
InChIKeyCSNKQFZTJAKLSQ-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.83
Rot. Bonds3

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

2-amino-2-[3-(4-chloro-2-methylphenyl)imidazol-4-yl]ethanol (PubChem CID 114703854) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-amino-2-[3-(4-chloro-2-methylphenyl)imidazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-(4-chloro-2-methylphenyl)imidazol-4-yl]ethanol
PubChem CID114703854
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name2-amino-2-[3-(4-chloro-2-methylphenyl)imidazol-4-yl]ethanol
SMILESCc1cc(Cl)ccc1-n1cncc1C(N)CO
InChIInChI=1S/C12H14ClN3O/c1-8-4-9(13)2-3-11(8)16-7-15-5-12(16)10(14)6-17/h2-5,7,10,17H,6,14H2,1H3
InChIKeyCSNKQFZTJAKLSQ-UHFFFAOYSA-N
XLogP1.83
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(4-chloro-2-methylphenyl)imidazol-4-yl]ethanol?
The IUPAC name of 2-amino-2-[3-(4-chloro-2-methylphenyl)imidazol-4-yl]ethanol (CID 114703854) is 2-amino-2-[3-(4-chloro-2-methylphenyl)imidazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-(4-chloro-2-methylphenyl)imidazol-4-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-(4-chloro-2-methylphenyl)imidazol-4-yl]ethanol is Cc1cc(Cl)ccc1-n1cncc1C(N)CO.
What is the InChIKey of 2-amino-2-[3-(4-chloro-2-methylphenyl)imidazol-4-yl]ethanol?
The InChIKey is CSNKQFZTJAKLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-8-4-9(13)2-3-11(8)16-7-15-5-12(16)10(14)6-17/h2-5,7,10,17H,6,14H2,1H3.
What are the key properties of 2-amino-2-[3-(4-chloro-2-methylphenyl)imidazol-4-yl]ethanol?
2-amino-2-[3-(4-chloro-2-methylphenyl)imidazol-4-yl]ethanol has a molecular weight of 251.72 g/mol, XLogP of 1.83, 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-(4-chloro-2-methylphenyl)imidazol-4-yl]ethanol is sourced from PubChem (CID 114703854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).