5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole chloride

C19H18ClF2N2O- — CID 51371235

IUPAC5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole chloride
SMILESFc1ccc(C(OCCCc2cnc[nH]2)c2ccc(F)cc2)cc1.[Cl-]
InChIInChI=1S/C19H18F2N2O.ClH/c20-16-7-3-14(4-8-16)19(15-5-9-17(21)10-6-15)24-11-1-2-18-12-22-13-23-18;/h3-10,12-13,19H,1-2,11H2,(H,22,23);1H/p-1
InChIKeyLCHACRBDLUKTTM-UHFFFAOYSA-M
MW363.82 g/mol
LogP1.43
Rot. Bonds7

About 5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole chloride

5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole chloride (PubChem CID 51371235) has the molecular formula C19H18ClF2N2O- and a molecular weight of 363.82 g/mol. Its IUPAC name is 5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole chloride.

Molecular Properties

Compound Name5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole chloride
PubChem CID51371235
Molecular FormulaC19H18ClF2N2O-
Molecular Weight363.82 g/mol
Exact Mass363.11
IUPAC Name5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole chloride
SMILESFc1ccc(C(OCCCc2cnc[nH]2)c2ccc(F)cc2)cc1.[Cl-]
InChIInChI=1S/C19H18F2N2O.ClH/c20-16-7-3-14(4-8-16)19(15-5-9-17(21)10-6-15)24-11-1-2-18-12-22-13-23-18;/h3-10,12-13,19H,1-2,11H2,(H,22,23);1H/p-1
InChIKeyLCHACRBDLUKTTM-UHFFFAOYSA-M
XLogP1.43
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Proxyfan
CID 6421522
Iodoproxyfan
CID 132937
2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazine
CID 24825522
4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
CID 21193574
(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-1-(1H-imidazol-4-ylmethyl)-2-phenyl-piperidine
CID 11799022
2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 24825510
2-[4-(1H-imidazol-4-ylmethyl)phenyl]-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 24825519
2-[3-(1H-imidazol-4-ylmethyl)phenyl]-3-oxa-1-azaspiro[4.4]non-1-ene
CID 24825523
2-[3-(1H-imidazol-4-ylmethyl)phenyl]-1-oxa-3-azaspiro[4.5]dec-2-ene
CID 24825524
4-(cyclohexylmethyl)-2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 24825525
(4R)-4-benzyl-2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 24825526
4-[3-(4-Bromobenzyloxy)propyl]-1H-imidazole
CID 6421294

Frequently Asked Questions

What is the IUPAC name of 5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole chloride?
The IUPAC name of 5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole chloride (CID 51371235) is 5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole chloride.
What is the SMILES notation for 5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole chloride?
The canonical SMILES for 5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole chloride is Fc1ccc(C(OCCCc2cnc[nH]2)c2ccc(F)cc2)cc1.[Cl-].
What is the InChIKey of 5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole chloride?
The InChIKey is LCHACRBDLUKTTM-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H18F2N2O.ClH/c20-16-7-3-14(4-8-16)19(15-5-9-17(21)10-6-15)24-11-1-2-18-12-22-13-23-18;/h3-10,12-13,19H,1-2,11H2,(H,22,23);1H/p-1.
What are the key properties of 5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole chloride?
5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole chloride has a molecular weight of 363.82 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole chloride is sourced from PubChem (CID 51371235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).