5-bromo-2-(2-chloroethyl)-1-(cyclopentylmethyl)-6-fluorobenzimidazole

C15H17BrClFN2 — CID 66088505

IUPAC5-bromo-2-(2-chloroethyl)-1-(cyclopentylmethyl)-6-fluorobenzimidazole
SMILESFc1cc2c(cc1Br)nc(CCCl)n2CC1CCCC1
InChIInChI=1S/C15H17BrClFN2/c16-11-7-13-14(8-12(11)18)20(15(19-13)5-6-17)9-10-3-1-2-4-10/h7-8,10H,1-6,9H2
InChIKeyJSVYRSVEDHOUIG-UHFFFAOYSA-N
MW359.67 g/mol
LogP4.91
Rot. Bonds4

About 5-bromo-2-(2-chloroethyl)-1-(cyclopentylmethyl)-6-fluorobenzimidazole

5-bromo-2-(2-chloroethyl)-1-(cyclopentylmethyl)-6-fluorobenzimidazole (PubChem CID 66088505) has the molecular formula C15H17BrClFN2 and a molecular weight of 359.67 g/mol. Its IUPAC name is 5-bromo-2-(2-chloroethyl)-1-(cyclopentylmethyl)-6-fluorobenzimidazole.

Molecular Properties

Compound Name5-bromo-2-(2-chloroethyl)-1-(cyclopentylmethyl)-6-fluorobenzimidazole
PubChem CID66088505
Molecular FormulaC15H17BrClFN2
Molecular Weight359.67 g/mol
Exact Mass358.02
IUPAC Name5-bromo-2-(2-chloroethyl)-1-(cyclopentylmethyl)-6-fluorobenzimidazole
SMILESFc1cc2c(cc1Br)nc(CCCl)n2CC1CCCC1
InChIInChI=1S/C15H17BrClFN2/c16-11-7-13-14(8-12(11)18)20(15(19-13)5-6-17)9-10-3-1-2-4-10/h7-8,10H,1-6,9H2
InChIKeyJSVYRSVEDHOUIG-UHFFFAOYSA-N
XLogP4.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.67
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(chloromethyl)-1-(cyclobutylmethyl)-6-fluorobenzimidazole
CID 66088881
5-chloro-2-(2-chloroethyl)-1-(cyclopropylmethyl)-6-fluorobenzimidazole
CID 66077348
5-bromo-2-(2-chloroethyl)-6-fluoro-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole
CID 106020491
2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-fluoro-6-methylbenzimidazole
CID 103593396
5-bromo-2-(chloromethyl)-6-fluoro-1-[(1-methylpiperidin-3-yl)methyl]benzimidazole
CID 66086549
5-bromo-2-(chloromethyl)-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole
CID 66086361
6-chloro-2-(2-chloroethyl)-1-(cyclopentylmethyl)benzimidazole
CID 115471068
2-(2-chloroethyl)-1-(cyclobutylmethyl)-4,6-difluorobenzimidazole
CID 113325667
N-[2-[5-bromo-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-N-methylcyclopropanamine
CID 66087147
2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-methylbenzimidazole
CID 43667524
2-(2-chloroethyl)-1-(cyclopropylmethyl)-4,6-difluorobenzimidazole
CID 115508994
3-[[5-bromo-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]thiolane 1,1-dioxide
CID 66087321

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chloroethyl)-1-(cyclopentylmethyl)-6-fluorobenzimidazole?
The IUPAC name of 5-bromo-2-(2-chloroethyl)-1-(cyclopentylmethyl)-6-fluorobenzimidazole (CID 66088505) is 5-bromo-2-(2-chloroethyl)-1-(cyclopentylmethyl)-6-fluorobenzimidazole.
What is the SMILES notation for 5-bromo-2-(2-chloroethyl)-1-(cyclopentylmethyl)-6-fluorobenzimidazole?
The canonical SMILES for 5-bromo-2-(2-chloroethyl)-1-(cyclopentylmethyl)-6-fluorobenzimidazole is Fc1cc2c(cc1Br)nc(CCCl)n2CC1CCCC1.
What is the InChIKey of 5-bromo-2-(2-chloroethyl)-1-(cyclopentylmethyl)-6-fluorobenzimidazole?
The InChIKey is JSVYRSVEDHOUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClFN2/c16-11-7-13-14(8-12(11)18)20(15(19-13)5-6-17)9-10-3-1-2-4-10/h7-8,10H,1-6,9H2.
What are the key properties of 5-bromo-2-(2-chloroethyl)-1-(cyclopentylmethyl)-6-fluorobenzimidazole?
5-bromo-2-(2-chloroethyl)-1-(cyclopentylmethyl)-6-fluorobenzimidazole has a molecular weight of 359.67 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-chloroethyl)-1-(cyclopentylmethyl)-6-fluorobenzimidazole is sourced from PubChem (CID 66088505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).