6-chloro-2-(1-chloroethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole

C14H18Cl2N2O — CID 113316345

IUPAC6-chloro-2-(1-chloroethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole
SMILESCOCC(C)Cn1c(C(C)Cl)nc2ccc(Cl)cc21
InChIInChI=1S/C14H18Cl2N2O/c1-9(8-19-3)7-18-13-6-11(16)4-5-12(13)17-14(18)10(2)15/h4-6,9-10H,7-8H2,1-3H3
InChIKeyBWMCTDCBSQXTGA-UHFFFAOYSA-N
MW301.22 g/mol
LogP4.27
Rot. Bonds5

About 6-chloro-2-(1-chloroethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole

6-chloro-2-(1-chloroethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole (PubChem CID 113316345) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 6-chloro-2-(1-chloroethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(1-chloroethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole
PubChem CID113316345
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name6-chloro-2-(1-chloroethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole
SMILESCOCC(C)Cn1c(C(C)Cl)nc2ccc(Cl)cc21
InChIInChI=1S/C14H18Cl2N2O/c1-9(8-19-3)7-18-13-6-11(16)4-5-12(13)17-14(18)10(2)15/h4-6,9-10H,7-8H2,1-3H3
InChIKeyBWMCTDCBSQXTGA-UHFFFAOYSA-N
XLogP4.27
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chloroethyl)-5-fluoro-1-(3-methoxy-2-methylpropyl)-6-methylbenzimidazole
CID 103593627
6-chloro-2-(1-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole
CID 115471645
6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole
CID 113316296
6-chloro-1-(2-methoxyethyl)-2-propan-2-ylbenzimidazole
CID 46309104
1-[(4-bromophenyl)methyl]-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115470996
2-(1-chloroethyl)-5-methoxy-3-(3-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine
CID 115322941
6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole
CID 115471567
6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole
CID 115470751
6-chloro-2-(1-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 115470773
6-chloro-2-(1-chloroethyl)-1-(3-methylsulfanylbutyl)benzimidazole
CID 113494127
6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole
CID 115471062
3-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-2,2-dimethylpropanamide
CID 106278774

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1-chloroethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole?
The IUPAC name of 6-chloro-2-(1-chloroethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole (CID 113316345) is 6-chloro-2-(1-chloroethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole.
What is the SMILES notation for 6-chloro-2-(1-chloroethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole?
The canonical SMILES for 6-chloro-2-(1-chloroethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole is COCC(C)Cn1c(C(C)Cl)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(1-chloroethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole?
The InChIKey is BWMCTDCBSQXTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-9(8-19-3)7-18-13-6-11(16)4-5-12(13)17-14(18)10(2)15/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of 6-chloro-2-(1-chloroethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole?
6-chloro-2-(1-chloroethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole has a molecular weight of 301.22 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1-chloroethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole is sourced from PubChem (CID 113316345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).