2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol

C15H19ClFN3O — CID 110009988

IUPAC2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1C(O)CN(C)Cc1ncc(Cl)n1C
InChIInChI=1S/C15H19ClFN3O/c1-10-6-11(17)4-5-12(10)13(21)8-19(2)9-15-18-7-14(16)20(15)3/h4-7,13,21H,8-9H2,1-3H3
InChIKeyUXPISAWSVMOETR-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.69
Rot. Bonds5

About 2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol

2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol (PubChem CID 110009988) has the molecular formula C15H19ClFN3O and a molecular weight of 311.79 g/mol. Its IUPAC name is 2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol
PubChem CID110009988
Molecular FormulaC15H19ClFN3O
Molecular Weight311.79 g/mol
Exact Mass311.12
IUPAC Name2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1C(O)CN(C)Cc1ncc(Cl)n1C
InChIInChI=1S/C15H19ClFN3O/c1-10-6-11(17)4-5-12(10)13(21)8-19(2)9-15-18-7-14(16)20(15)3/h4-7,13,21H,8-9H2,1-3H3
InChIKeyUXPISAWSVMOETR-UHFFFAOYSA-N
XLogP2.69
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-chloro-3-pyridinyl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111757482
1-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 110009972
1-(4-fluoro-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol
CID 111564990
1-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol
CID 111565148
(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanol
CID 78932255
1-(2,4-difluorophenyl)-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]ethanol
CID 111916349
2-[cyclobutylmethyl(methyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565104
(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
CID 78936109
N-tert-butyl-2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]acetamide
CID 111564900
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115345951
(2-chloro-5-fluorophenyl)-(5-chloro-1-methylimidazol-2-yl)methanol
CID 114239432

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol (CID 110009988) is 2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol is Cc1cc(F)ccc1C(O)CN(C)Cc1ncc(Cl)n1C.
What is the InChIKey of 2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol?
The InChIKey is UXPISAWSVMOETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3O/c1-10-6-11(17)4-5-12(10)13(21)8-19(2)9-15-18-7-14(16)20(15)3/h4-7,13,21H,8-9H2,1-3H3.
What are the key properties of 2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol?
2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol has a molecular weight of 311.79 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]-1-(4-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 110009988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).