2-[(3-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol

C14H17ClFN3O — CID 137335185

IUPAC2-[(3-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
SMILESCc1ncc(CN(CCO)Cc2ccc(F)c(Cl)c2)[nH]1
InChIInChI=1S/C14H17ClFN3O/c1-10-17-7-12(18-10)9-19(4-5-20)8-11-2-3-14(16)13(15)6-11/h2-3,6-7,20H,4-5,8-9H2,1H3,(H,17,18)
InChIKeyFEWNWYHSBAGGBZ-UHFFFAOYSA-N
MW297.76 g/mol
LogP2.51
Rot. Bonds6

About 2-[(3-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol

2-[(3-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol (PubChem CID 137335185) has the molecular formula C14H17ClFN3O and a molecular weight of 297.76 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
PubChem CID137335185
Molecular FormulaC14H17ClFN3O
Molecular Weight297.76 g/mol
Exact Mass297.10
IUPAC Name2-[(3-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
SMILESCc1ncc(CN(CCO)Cc2ccc(F)c(Cl)c2)[nH]1
InChIInChI=1S/C14H17ClFN3O/c1-10-17-7-12(18-10)9-19(4-5-20)8-11-2-3-14(16)13(15)6-11/h2-3,6-7,20H,4-5,8-9H2,1H3,(H,17,18)
InChIKeyFEWNWYHSBAGGBZ-UHFFFAOYSA-N
XLogP2.51
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol (CID 137335185) is 2-[(3-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol is Cc1ncc(CN(CCO)Cc2ccc(F)c(Cl)c2)[nH]1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol?
The InChIKey is FEWNWYHSBAGGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3O/c1-10-17-7-12(18-10)9-19(4-5-20)8-11-2-3-14(16)13(15)6-11/h2-3,6-7,20H,4-5,8-9H2,1H3,(H,17,18).
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol?
2-[(3-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol has a molecular weight of 297.76 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol is sourced from PubChem (CID 137335185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).