5-chloro-2-(2-chloroethyl)-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazole

C15H17Cl2FN2 — CID 66111033

IUPAC5-chloro-2-(2-chloroethyl)-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazole
SMILESCC(CC1CC1)n1c(CCCl)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C15H17Cl2FN2/c1-9(6-10-2-3-10)20-14-8-12(18)11(17)7-13(14)19-15(20)4-5-16/h7-10H,2-6H2,1H3
InChIKeyFUWISKRCJLTANO-UHFFFAOYSA-N
MW315.22 g/mol
LogP4.97
Rot. Bonds5

About 5-chloro-2-(2-chloroethyl)-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazole

5-chloro-2-(2-chloroethyl)-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazole (PubChem CID 66111033) has the molecular formula C15H17Cl2FN2 and a molecular weight of 315.22 g/mol. Its IUPAC name is 5-chloro-2-(2-chloroethyl)-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazole.

Molecular Properties

Compound Name5-chloro-2-(2-chloroethyl)-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazole
PubChem CID66111033
Molecular FormulaC15H17Cl2FN2
Molecular Weight315.22 g/mol
Exact Mass314.08
IUPAC Name5-chloro-2-(2-chloroethyl)-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazole
SMILESCC(CC1CC1)n1c(CCCl)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C15H17Cl2FN2/c1-9(6-10-2-3-10)20-14-8-12(18)11(17)7-13(14)19-15(20)4-5-16/h7-10H,2-6H2,1H3
InChIKeyFUWISKRCJLTANO-UHFFFAOYSA-N
XLogP4.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-2-(2-chloroethyl)-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-(2-chloroethyl)-1-(cyclopropylmethyl)-6-fluorobenzimidazole
CID 66077348
2-[1-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole
CID 66110246
6-bromo-2-(2-chloroethyl)-1-(1-cyclopropylbutan-2-yl)-5-fluorobenzimidazole
CID 116739125
2-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropanamide
CID 66112385
5-chloro-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 66109631
2-(2-chloroethyl)-1-(1-cyclopentylethyl)-6-fluoro-5-iodobenzimidazole
CID 66093036
2-(2-chloroethyl)-5-fluoro-6-methyl-1-[1-(oxolan-3-yl)ethyl]benzimidazole
CID 103594068
5-bromo-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazol-2-amine
CID 66087095
1-butan-2-yl-2-(2-chloroethyl)-5-fluorobenzimidazole
CID 43666323
2-(2-chloroethyl)-1-(3,3-dimethylbutan-2-yl)-5-fluoro-6-methylbenzimidazole
CID 103593961
6-chloro-2-(2-chloroethyl)-1-(4-methylpentan-2-yl)benzimidazole
CID 113316284
2-(2-chloroethyl)-1-(dicyclopropylmethyl)-6-fluorobenzimidazole
CID 62376179

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-chloroethyl)-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazole?
The IUPAC name of 5-chloro-2-(2-chloroethyl)-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazole (CID 66111033) is 5-chloro-2-(2-chloroethyl)-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazole.
What is the SMILES notation for 5-chloro-2-(2-chloroethyl)-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazole?
The canonical SMILES for 5-chloro-2-(2-chloroethyl)-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazole is CC(CC1CC1)n1c(CCCl)nc2cc(Cl)c(F)cc21.
What is the InChIKey of 5-chloro-2-(2-chloroethyl)-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazole?
The InChIKey is FUWISKRCJLTANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2FN2/c1-9(6-10-2-3-10)20-14-8-12(18)11(17)7-13(14)19-15(20)4-5-16/h7-10H,2-6H2,1H3.
What are the key properties of 5-chloro-2-(2-chloroethyl)-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazole?
5-chloro-2-(2-chloroethyl)-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazole has a molecular weight of 315.22 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-chloroethyl)-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazole is sourced from PubChem (CID 66111033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).