2-[(5-chloro-1-methylimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol

C15H20ClN3O2 — CID 110932185

IUPAC2-[(5-chloro-1-methylimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol
SMILESCOc1ccccc1CN(CCO)Cc1ncc(Cl)n1C
InChIInChI=1S/C15H20ClN3O2/c1-18-14(16)9-17-15(18)11-19(7-8-20)10-12-5-3-4-6-13(12)21-2/h3-6,9,20H,7-8,10-11H2,1-2H3
InChIKeySRKWBTZAFRHESV-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.08
Rot. Bonds7

About 2-[(5-chloro-1-methylimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol

2-[(5-chloro-1-methylimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol (PubChem CID 110932185) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-[(5-chloro-1-methylimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[(5-chloro-1-methylimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol
PubChem CID110932185
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name2-[(5-chloro-1-methylimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol
SMILESCOc1ccccc1CN(CCO)Cc1ncc(Cl)n1C
InChIInChI=1S/C15H20ClN3O2/c1-18-14(16)9-17-15(18)11-19(7-8-20)10-12-5-3-4-6-13(12)21-2/h3-6,9,20H,7-8,10-11H2,1-2H3
InChIKeySRKWBTZAFRHESV-UHFFFAOYSA-N
XLogP2.08
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[but-2-ynyl-[(2-methoxyphenyl)methyl]amino]ethanol
CID 111461930
2-[(4-fluorophenyl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol
CID 110932160
2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol
CID 115610796
2-[(2-methoxyphenyl)methyl-(2-phenylethyl)amino]ethanol
CID 110932203
2-[(2-chloro-3-pyridinyl)methyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanol
CID 111113631
2-[(2-methoxyphenyl)methyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 110932771
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-[(2-methoxyphenyl)methyl]amino]ethanol
CID 120751171
3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 54875800
5-chloro-2-(2-methoxyphenyl)-1-methylimidazole
CID 117259261
1-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 110009972
2-[(2,4-dimethoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanol
CID 111116702
2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol
CID 60686064

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-methylimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol?
The IUPAC name of 2-[(5-chloro-1-methylimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol (CID 110932185) is 2-[(5-chloro-1-methylimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[(5-chloro-1-methylimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[(5-chloro-1-methylimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol is COc1ccccc1CN(CCO)Cc1ncc(Cl)n1C.
What is the InChIKey of 2-[(5-chloro-1-methylimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol?
The InChIKey is SRKWBTZAFRHESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-18-14(16)9-17-15(18)11-19(7-8-20)10-12-5-3-4-6-13(12)21-2/h3-6,9,20H,7-8,10-11H2,1-2H3.
What are the key properties of 2-[(5-chloro-1-methylimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol?
2-[(5-chloro-1-methylimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol has a molecular weight of 309.80 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-methylimidazol-2-yl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol is sourced from PubChem (CID 110932185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).