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

C14H17ClFN3O — CID 135118126

IUPAC2-[(2-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
SMILESCc1ncc(CN(CCO)Cc2ccc(F)cc2Cl)[nH]1
InChIInChI=1S/C14H17ClFN3O/c1-10-17-7-13(18-10)9-19(4-5-20)8-11-2-3-12(16)6-14(11)15/h2-3,6-7,20H,4-5,8-9H2,1H3,(H,17,18)
InChIKeyWITWUCBOISKRSF-UHFFFAOYSA-N
MW297.76 g/mol
LogP2.51
Rot. Bonds6

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

2-[(2-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol (PubChem CID 135118126) has the molecular formula C14H17ClFN3O and a molecular weight of 297.76 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
PubChem CID135118126
Molecular FormulaC14H17ClFN3O
Molecular Weight297.76 g/mol
Exact Mass297.10
IUPAC Name2-[(2-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
SMILESCc1ncc(CN(CCO)Cc2ccc(F)cc2Cl)[nH]1
InChIInChI=1S/C14H17ClFN3O/c1-10-17-7-13(18-10)9-19(4-5-20)8-11-2-3-12(16)6-14(11)15/h2-3,6-7,20H,4-5,8-9H2,1H3,(H,17,18)
InChIKeyWITWUCBOISKRSF-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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Related Compounds

2-(3-Chlorophenyl)histamine
CID 14827778
(4-Phenyl-1H-imidazol-2-yl)methanol
CID 11579206
N-[(4-chlorophenyl)methyl]-5-(1H-imidazol-5-yl)pentan-1-amine
CID 10446240
N-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)butan-1-amine
CID 11673377
2-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-1H-imidazole
CID 52945866
1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(1H-imidazol-5-ylmethyl)methanamine
CID 155558835
4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-(trifluoromethyl)aniline
CID 24947143
3-chloro-N-(1H-imidazol-5-ylmethyl)-4-methyl-N-propan-2-ylaniline
CID 24947703
US11629136, Example 23
CID 168105947
2-[2-[(2-chlorophenyl)methyl]-1H-imidazol-5-yl]ethanamine
CID 10466618
[5-(2-chlorophenyl)-1H-imidazol-2-yl]-(4-fluorophenyl)methanol
CID 49790291
(3R)-4-[(4-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]morpholine
CID 75367181

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol (CID 135118126) is 2-[(2-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol is Cc1ncc(CN(CCO)Cc2ccc(F)cc2Cl)[nH]1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol?
The InChIKey is WITWUCBOISKRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3O/c1-10-17-7-13(18-10)9-19(4-5-20)8-11-2-3-12(16)6-14(11)15/h2-3,6-7,20H,4-5,8-9H2,1H3,(H,17,18).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol?
2-[(2-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-[(2-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol is sourced from PubChem (CID 135118126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).