5-bromo-7-[(4-fluorophenyl)methoxy]-1-(3-methoxypropyl)-2-methylbenzimidazole

C19H20BrFN2O2 — CID 69499373

IUPAC5-bromo-7-[(4-fluorophenyl)methoxy]-1-(3-methoxypropyl)-2-methylbenzimidazole
SMILESCOCCCn1c(C)nc2cc(Br)cc(OCc3ccc(F)cc3)c21
InChIInChI=1S/C19H20BrFN2O2/c1-13-22-17-10-15(20)11-18(19(17)23(13)8-3-9-24-2)25-12-14-4-6-16(21)7-5-14/h4-7,10-11H,3,8-9,12H2,1-2H3
InChIKeyYDFMCQKXFXZFJJ-UHFFFAOYSA-N
MW407.28 g/mol
LogP4.86
Rot. Bonds7

About 5-bromo-7-[(4-fluorophenyl)methoxy]-1-(3-methoxypropyl)-2-methylbenzimidazole

5-bromo-7-[(4-fluorophenyl)methoxy]-1-(3-methoxypropyl)-2-methylbenzimidazole (PubChem CID 69499373) has the molecular formula C19H20BrFN2O2 and a molecular weight of 407.28 g/mol. Its IUPAC name is 5-bromo-7-[(4-fluorophenyl)methoxy]-1-(3-methoxypropyl)-2-methylbenzimidazole.

Molecular Properties

Compound Name5-bromo-7-[(4-fluorophenyl)methoxy]-1-(3-methoxypropyl)-2-methylbenzimidazole
PubChem CID69499373
Molecular FormulaC19H20BrFN2O2
Molecular Weight407.28 g/mol
Exact Mass406.07
IUPAC Name5-bromo-7-[(4-fluorophenyl)methoxy]-1-(3-methoxypropyl)-2-methylbenzimidazole
SMILESCOCCCn1c(C)nc2cc(Br)cc(OCc3ccc(F)cc3)c21
InChIInChI=1S/C19H20BrFN2O2/c1-13-22-17-10-15(20)11-18(19(17)23(13)8-3-9-24-2)25-12-14-4-6-16(21)7-5-14/h4-7,10-11H,3,8-9,12H2,1-2H3
InChIKeyYDFMCQKXFXZFJJ-UHFFFAOYSA-N
XLogP4.86
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.28
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-[(4-fluorophenyl)methoxy]-1-(3-methoxypropyl)-2-methylbenzimidazole?
The IUPAC name of 5-bromo-7-[(4-fluorophenyl)methoxy]-1-(3-methoxypropyl)-2-methylbenzimidazole (CID 69499373) is 5-bromo-7-[(4-fluorophenyl)methoxy]-1-(3-methoxypropyl)-2-methylbenzimidazole.
What is the SMILES notation for 5-bromo-7-[(4-fluorophenyl)methoxy]-1-(3-methoxypropyl)-2-methylbenzimidazole?
The canonical SMILES for 5-bromo-7-[(4-fluorophenyl)methoxy]-1-(3-methoxypropyl)-2-methylbenzimidazole is COCCCn1c(C)nc2cc(Br)cc(OCc3ccc(F)cc3)c21.
What is the InChIKey of 5-bromo-7-[(4-fluorophenyl)methoxy]-1-(3-methoxypropyl)-2-methylbenzimidazole?
The InChIKey is YDFMCQKXFXZFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O2/c1-13-22-17-10-15(20)11-18(19(17)23(13)8-3-9-24-2)25-12-14-4-6-16(21)7-5-14/h4-7,10-11H,3,8-9,12H2,1-2H3.
What are the key properties of 5-bromo-7-[(4-fluorophenyl)methoxy]-1-(3-methoxypropyl)-2-methylbenzimidazole?
5-bromo-7-[(4-fluorophenyl)methoxy]-1-(3-methoxypropyl)-2-methylbenzimidazole has a molecular weight of 407.28 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-[(4-fluorophenyl)methoxy]-1-(3-methoxypropyl)-2-methylbenzimidazole is sourced from PubChem (CID 69499373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).