5-bromo-2-(chloromethyl)-6-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole

C15H17BrClFN2 — CID 66087529

IUPAC5-bromo-2-(chloromethyl)-6-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole
SMILESCC1(Cn2c(CCl)nc3cc(Br)c(F)cc32)CCCC1
InChIInChI=1S/C15H17BrClFN2/c1-15(4-2-3-5-15)9-20-13-7-11(18)10(16)6-12(13)19-14(20)8-17/h6-7H,2-5,8-9H2,1H3
InChIKeyDRZTUXWGCPAWFO-UHFFFAOYSA-N
MW359.67 g/mol
LogP5.26
Rot. Bonds3

About 5-bromo-2-(chloromethyl)-6-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole

5-bromo-2-(chloromethyl)-6-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole (PubChem CID 66087529) has the molecular formula C15H17BrClFN2 and a molecular weight of 359.67 g/mol. Its IUPAC name is 5-bromo-2-(chloromethyl)-6-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(chloromethyl)-6-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole
PubChem CID66087529
Molecular FormulaC15H17BrClFN2
Molecular Weight359.67 g/mol
Exact Mass358.02
IUPAC Name5-bromo-2-(chloromethyl)-6-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole
SMILESCC1(Cn2c(CCl)nc3cc(Br)c(F)cc32)CCCC1
InChIInChI=1S/C15H17BrClFN2/c1-15(4-2-3-5-15)9-20-13-7-11(18)10(16)6-12(13)19-14(20)8-17/h6-7H,2-5,8-9H2,1H3
InChIKeyDRZTUXWGCPAWFO-UHFFFAOYSA-N
XLogP5.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.67
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(chloromethyl)-6-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole?
The IUPAC name of 5-bromo-2-(chloromethyl)-6-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole (CID 66087529) is 5-bromo-2-(chloromethyl)-6-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole.
What is the SMILES notation for 5-bromo-2-(chloromethyl)-6-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole?
The canonical SMILES for 5-bromo-2-(chloromethyl)-6-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole is CC1(Cn2c(CCl)nc3cc(Br)c(F)cc32)CCCC1.
What is the InChIKey of 5-bromo-2-(chloromethyl)-6-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole?
The InChIKey is DRZTUXWGCPAWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClFN2/c1-15(4-2-3-5-15)9-20-13-7-11(18)10(16)6-12(13)19-14(20)8-17/h6-7H,2-5,8-9H2,1H3.
What are the key properties of 5-bromo-2-(chloromethyl)-6-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole?
5-bromo-2-(chloromethyl)-6-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole has a molecular weight of 359.67 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(chloromethyl)-6-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole is sourced from PubChem (CID 66087529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).