5-bromo-2-(chloromethyl)-6-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole

C14H13BrClFN4 — CID 66087109

IUPAC5-bromo-2-(chloromethyl)-6-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole
SMILESCC(Cn1cccn1)n1c(CCl)nc2cc(Br)c(F)cc21
InChIInChI=1S/C14H13BrClFN4/c1-9(8-20-4-2-3-18-20)21-13-6-11(17)10(15)5-12(13)19-14(21)7-16/h2-6,9H,7-8H2,1H3
InChIKeyCMDSRPZJHPHZMB-UHFFFAOYSA-N
MW371.64 g/mol
LogP4.13
Rot. Bonds4

About 5-bromo-2-(chloromethyl)-6-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole

5-bromo-2-(chloromethyl)-6-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole (PubChem CID 66087109) has the molecular formula C14H13BrClFN4 and a molecular weight of 371.64 g/mol. Its IUPAC name is 5-bromo-2-(chloromethyl)-6-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(chloromethyl)-6-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole
PubChem CID66087109
Molecular FormulaC14H13BrClFN4
Molecular Weight371.64 g/mol
Exact Mass370.00
IUPAC Name5-bromo-2-(chloromethyl)-6-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole
SMILESCC(Cn1cccn1)n1c(CCl)nc2cc(Br)c(F)cc21
InChIInChI=1S/C14H13BrClFN4/c1-9(8-20-4-2-3-18-20)21-13-6-11(17)10(15)5-12(13)19-14(21)7-16/h2-6,9H,7-8H2,1H3
InChIKeyCMDSRPZJHPHZMB-UHFFFAOYSA-N
XLogP4.13
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.64
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(chloromethyl)-6-fluoro-1-propan-2-ylbenzimidazole
CID 66088261
6-bromo-2-(chloromethyl)-5-fluoro-1-(1-imidazol-1-ylpropan-2-yl)benzimidazole
CID 116738903
6-bromo-2-(chloromethyl)-5-fluoro-1-(4-methylpentan-2-yl)benzimidazole
CID 116738768
2-(2-chloroethyl)-5-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole
CID 61461245
6-bromo-2-(chloromethyl)-3-(1-pyrazol-1-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 79302606
6-bromo-2-(chloromethyl)-5-fluoro-1-(3-pyrazol-1-ylpropyl)benzimidazole
CID 116739317
2-(chloromethyl)-6-methyl-3-(1-pyrazol-1-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 79300727
4,6-difluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazol-2-amine
CID 115508707
5-bromo-2-(chloromethyl)-1-(3-ethylpentan-3-yl)-6-fluorobenzimidazole
CID 66088103
6-bromo-2-(chloromethyl)-1-(1-cyclobutylethyl)-5-fluorobenzimidazole
CID 116739419
5-bromo-2-(chloromethyl)-6-fluoro-1-(3-methylpentan-3-yl)benzimidazole
CID 106330234
6-bromo-2-(chloromethyl)-1-(1-cyclohexylethyl)-5-fluorobenzimidazole
CID 116739029

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(chloromethyl)-6-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole?
The IUPAC name of 5-bromo-2-(chloromethyl)-6-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole (CID 66087109) is 5-bromo-2-(chloromethyl)-6-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(chloromethyl)-6-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole?
The canonical SMILES for 5-bromo-2-(chloromethyl)-6-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole is CC(Cn1cccn1)n1c(CCl)nc2cc(Br)c(F)cc21.
What is the InChIKey of 5-bromo-2-(chloromethyl)-6-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole?
The InChIKey is CMDSRPZJHPHZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN4/c1-9(8-20-4-2-3-18-20)21-13-6-11(17)10(15)5-12(13)19-14(21)7-16/h2-6,9H,7-8H2,1H3.
What are the key properties of 5-bromo-2-(chloromethyl)-6-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole?
5-bromo-2-(chloromethyl)-6-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole has a molecular weight of 371.64 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(chloromethyl)-6-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole is sourced from PubChem (CID 66087109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).