2-(2-chloroethyl)-5-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole

C16H20ClFN2 — CID 63831945

IUPAC2-(2-chloroethyl)-5-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole
SMILESCC1(Cn2c(CCCl)nc3cc(F)ccc32)CCCC1
InChIInChI=1S/C16H20ClFN2/c1-16(7-2-3-8-16)11-20-14-5-4-12(18)10-13(14)19-15(20)6-9-17/h4-5,10H,2-3,6-9,11H2,1H3
InChIKeyXQWFZNIFWBRAKA-UHFFFAOYSA-N
MW294.80 g/mol
LogP4.54
Rot. Bonds4

About 2-(2-chloroethyl)-5-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole

2-(2-chloroethyl)-5-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole (PubChem CID 63831945) has the molecular formula C16H20ClFN2 and a molecular weight of 294.80 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole
PubChem CID63831945
Molecular FormulaC16H20ClFN2
Molecular Weight294.80 g/mol
Exact Mass294.13
IUPAC Name2-(2-chloroethyl)-5-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole
SMILESCC1(Cn2c(CCCl)nc3cc(F)ccc32)CCCC1
InChIInChI=1S/C16H20ClFN2/c1-16(7-2-3-8-16)11-20-14-5-4-12(18)10-13(14)19-15(20)6-9-17/h4-5,10H,2-3,6-9,11H2,1H3
InChIKeyXQWFZNIFWBRAKA-UHFFFAOYSA-N
XLogP4.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.80
LogP ≤ 54.54
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 2-(2-chloroethyl)-5-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-5-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole (CID 63831945) is 2-(2-chloroethyl)-5-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-5-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole is CC1(Cn2c(CCCl)nc3cc(F)ccc32)CCCC1.
What is the InChIKey of 2-(2-chloroethyl)-5-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole?
The InChIKey is XQWFZNIFWBRAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2/c1-16(7-2-3-8-16)11-20-14-5-4-12(18)10-13(14)19-15(20)6-9-17/h4-5,10H,2-3,6-9,11H2,1H3.
What are the key properties of 2-(2-chloroethyl)-5-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole?
2-(2-chloroethyl)-5-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole has a molecular weight of 294.80 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-fluoro-1-[(1-methylcyclopentyl)methyl]benzimidazole is sourced from PubChem (CID 63831945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).