2-amino-2-[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]ethanol

C13H16ClN3O2 — CID 103293720

IUPAC2-amino-2-[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]ethanol
SMILESCOc1cccc(Cl)c1Cn1cncc1C(N)CO
InChIInChI=1S/C13H16ClN3O2/c1-19-13-4-2-3-10(14)9(13)6-17-8-16-5-12(17)11(15)7-18/h2-5,8,11,18H,6-7,15H2,1H3
InChIKeyJAKRYODSMBHATD-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.59
Rot. Bonds5

About 2-amino-2-[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]ethanol

2-amino-2-[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]ethanol (PubChem CID 103293720) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-amino-2-[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]ethanol
PubChem CID103293720
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name2-amino-2-[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]ethanol
SMILESCOc1cccc(Cl)c1Cn1cncc1C(N)CO
InChIInChI=1S/C13H16ClN3O2/c1-19-13-4-2-3-10(14)9(13)6-17-8-16-5-12(17)11(15)7-18/h2-5,8,11,18H,6-7,15H2,1H3
InChIKeyJAKRYODSMBHATD-UHFFFAOYSA-N
XLogP1.59
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine
CID 103293568
2-amino-2-[3-(pyridin-2-ylmethyl)imidazol-4-yl]ethanol
CID 114703272
2-amino-2-[3-(2-methylpropyl)imidazol-4-yl]ethanol
CID 83876289
2-amino-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanol
CID 114705699
2-amino-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]ethanol
CID 114706186
2-amino-2-[3-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]ethanol
CID 114704613
2-amino-2-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]ethanol
CID 114704013
2-amino-2-[3-(3-ethoxypropyl)imidazol-4-yl]ethanol
CID 114703406
2-amino-2-[3-[(2-nitrophenyl)methyl]imidazol-4-yl]ethanol
CID 114705003
3-(2-chloro-6-methoxyphenyl)-2-oxopropanoic acid
CID 104816509
2-amino-2-(2-ethyl-3-methoxyphenyl)ethanol
CID 55269244
2-[1-[(2-chloro-6-methoxyphenyl)methyl]-5-methylimidazol-2-yl]sulfanylacetic acid
CID 103293179

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]ethanol?
The IUPAC name of 2-amino-2-[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]ethanol (CID 103293720) is 2-amino-2-[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]ethanol is COc1cccc(Cl)c1Cn1cncc1C(N)CO.
What is the InChIKey of 2-amino-2-[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]ethanol?
The InChIKey is JAKRYODSMBHATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-19-13-4-2-3-10(14)9(13)6-17-8-16-5-12(17)11(15)7-18/h2-5,8,11,18H,6-7,15H2,1H3.
What are the key properties of 2-amino-2-[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]ethanol?
2-amino-2-[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]ethanol has a molecular weight of 281.74 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]ethanol is sourced from PubChem (CID 103293720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).