2-(1-chloroethyl)-6-fluoro-5-iodo-1-(2-methoxycyclopentyl)benzimidazole

C15H17ClFIN2O — CID 66094060

IUPAC2-(1-chloroethyl)-6-fluoro-5-iodo-1-(2-methoxycyclopentyl)benzimidazole
SMILESCOC1CCCC1n1c(C(C)Cl)nc2cc(I)c(F)cc21
InChIInChI=1S/C15H17ClFIN2O/c1-8(16)15-19-11-7-10(18)9(17)6-13(11)20(15)12-4-3-5-14(12)21-2/h6-8,12,14H,3-5H2,1-2H3
InChIKeyGOYRBMQDXXBVLV-UHFFFAOYSA-N
MW422.67 g/mol
LogP4.82
Rot. Bonds3

About 2-(1-chloroethyl)-6-fluoro-5-iodo-1-(2-methoxycyclopentyl)benzimidazole

2-(1-chloroethyl)-6-fluoro-5-iodo-1-(2-methoxycyclopentyl)benzimidazole (PubChem CID 66094060) has the molecular formula C15H17ClFIN2O and a molecular weight of 422.67 g/mol. Its IUPAC name is 2-(1-chloroethyl)-6-fluoro-5-iodo-1-(2-methoxycyclopentyl)benzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-6-fluoro-5-iodo-1-(2-methoxycyclopentyl)benzimidazole
PubChem CID66094060
Molecular FormulaC15H17ClFIN2O
Molecular Weight422.67 g/mol
Exact Mass422.01
IUPAC Name2-(1-chloroethyl)-6-fluoro-5-iodo-1-(2-methoxycyclopentyl)benzimidazole
SMILESCOC1CCCC1n1c(C(C)Cl)nc2cc(I)c(F)cc21
InChIInChI=1S/C15H17ClFIN2O/c1-8(16)15-19-11-7-10(18)9(17)6-13(11)20(15)12-4-3-5-14(12)21-2/h6-8,12,14H,3-5H2,1-2H3
InChIKeyGOYRBMQDXXBVLV-UHFFFAOYSA-N
XLogP4.82
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.67
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methoxycyclopentyl)benzimidazole
CID 66112392
2-(1-chloroethyl)-1-(2-methoxycyclopentyl)-5-methylbenzimidazole
CID 62087569
6-bromo-2-(1-chloroethyl)-5-fluoro-1-(2-methylcyclopentyl)benzimidazole
CID 116739074
5-fluoro-6-iodo-3-(2-methoxycyclopentyl)-1H-benzimidazole-2-thione
CID 66100170
2-(1-chloroethyl)-6-fluoro-5-iodo-1-(2-methoxypropyl)benzimidazole
CID 102699500
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole
CID 66110630
2-(1-chloroethyl)-6-fluoro-5-iodo-1-(oxolan-2-ylmethyl)benzimidazole
CID 66101591
1-(2-methoxycyclopentyl)-2-propan-2-ylbenzimidazol-5-amine
CID 62506076
2-(chloromethyl)-1-cyclobutyl-6-fluoro-5-iodobenzimidazole
CID 66095293
2-(1-chloroethyl)-5,6-difluoro-1-(oxolan-3-yl)benzimidazole
CID 112752147
1-(2,3-dimethylcyclohexyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101762
2-(1-chloroethyl)-1-(2-ethoxy-2-methylpropyl)-6-fluoro-5-iodobenzimidazole
CID 114943333

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-6-fluoro-5-iodo-1-(2-methoxycyclopentyl)benzimidazole?
The IUPAC name of 2-(1-chloroethyl)-6-fluoro-5-iodo-1-(2-methoxycyclopentyl)benzimidazole (CID 66094060) is 2-(1-chloroethyl)-6-fluoro-5-iodo-1-(2-methoxycyclopentyl)benzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-6-fluoro-5-iodo-1-(2-methoxycyclopentyl)benzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-6-fluoro-5-iodo-1-(2-methoxycyclopentyl)benzimidazole is COC1CCCC1n1c(C(C)Cl)nc2cc(I)c(F)cc21.
What is the InChIKey of 2-(1-chloroethyl)-6-fluoro-5-iodo-1-(2-methoxycyclopentyl)benzimidazole?
The InChIKey is GOYRBMQDXXBVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFIN2O/c1-8(16)15-19-11-7-10(18)9(17)6-13(11)20(15)12-4-3-5-14(12)21-2/h6-8,12,14H,3-5H2,1-2H3.
What are the key properties of 2-(1-chloroethyl)-6-fluoro-5-iodo-1-(2-methoxycyclopentyl)benzimidazole?
2-(1-chloroethyl)-6-fluoro-5-iodo-1-(2-methoxycyclopentyl)benzimidazole has a molecular weight of 422.67 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-6-fluoro-5-iodo-1-(2-methoxycyclopentyl)benzimidazole is sourced from PubChem (CID 66094060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).