4-chloro-2-(2-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole

C15H20Cl2N2O — CID 104838313

IUPAC4-chloro-2-(2-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole
SMILESCOCC(C(C)C)n1c(CCCl)nc2c(Cl)cccc21
InChIInChI=1S/C15H20Cl2N2O/c1-10(2)13(9-20-3)19-12-6-4-5-11(17)15(12)18-14(19)7-8-16/h4-6,10,13H,7-9H2,1-3H3
InChIKeyOMIQIQQQUPRBBG-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.31
Rot. Bonds6

About 4-chloro-2-(2-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole

4-chloro-2-(2-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole (PubChem CID 104838313) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 4-chloro-2-(2-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(2-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole
PubChem CID104838313
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name4-chloro-2-(2-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole
SMILESCOCC(C(C)C)n1c(CCCl)nc2c(Cl)cccc21
InChIInChI=1S/C15H20Cl2N2O/c1-10(2)13(9-20-3)19-12-6-4-5-11(17)15(12)18-14(19)7-8-16/h4-6,10,13H,7-9H2,1-3H3
InChIKeyOMIQIQQQUPRBBG-UHFFFAOYSA-N
XLogP4.31
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-2-(2-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole 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

4-chloro-2-(2-chloroethyl)-1-(3,3-dimethylbutan-2-yl)benzimidazole
CID 104838671
3-[4-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylbutan-1-amine
CID 104837887
4-chloro-2-(2-chloroethyl)-1-(4-methylhexan-2-yl)benzimidazole
CID 104838349
2-(chloromethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole-4-carbonitrile
CID 104719787
4-chloro-2-(2-chloroethyl)-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole
CID 102906979
4-chloro-2-(2-chloroethyl)-1-(1-thiophen-2-ylpropan-2-yl)benzimidazole
CID 104838120
4-chloro-2-(chloromethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole
CID 113459144
4-chloro-2-(2-chloroethyl)-1-[2-(3-methylbutoxy)ethyl]benzimidazole
CID 104837980
1-butan-2-yl-4-chloro-2-(chloromethyl)benzimidazole
CID 104837361
4-chloro-2-(chloromethyl)-1-(2-methyl-1-thiophen-2-ylpropyl)benzimidazole
CID 104837884
2-[2-(2-chloroethyl)-4-methoxybenzimidazol-1-yl]-3-methylbutanamide
CID 106346422
4-chloro-2-(2-chloroethyl)-1-cyclobutylbenzimidazole
CID 104838040

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole?
The IUPAC name of 4-chloro-2-(2-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole (CID 104838313) is 4-chloro-2-(2-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole.
What is the SMILES notation for 4-chloro-2-(2-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole?
The canonical SMILES for 4-chloro-2-(2-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole is COCC(C(C)C)n1c(CCCl)nc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-2-(2-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole?
The InChIKey is OMIQIQQQUPRBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-10(2)13(9-20-3)19-12-6-4-5-11(17)15(12)18-14(19)7-8-16/h4-6,10,13H,7-9H2,1-3H3.
What are the key properties of 4-chloro-2-(2-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole?
4-chloro-2-(2-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole has a molecular weight of 315.24 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole is sourced from PubChem (CID 104838313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).