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

C15H20Cl2N2O — CID 115471645

IUPAC6-chloro-2-(1-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole
SMILESCOCC(C(C)C)n1c(C(C)Cl)nc2ccc(Cl)cc21
InChIInChI=1S/C15H20Cl2N2O/c1-9(2)14(8-20-4)19-13-7-11(17)5-6-12(13)18-15(19)10(3)16/h5-7,9-10,14H,8H2,1-4H3
InChIKeyYEFXEAQZVCRQSX-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.83
Rot. Bonds5

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

6-chloro-2-(1-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole (PubChem CID 115471645) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 6-chloro-2-(1-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(1-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole
PubChem CID115471645
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name6-chloro-2-(1-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole
SMILESCOCC(C(C)C)n1c(C(C)Cl)nc2ccc(Cl)cc21
InChIInChI=1S/C15H20Cl2N2O/c1-9(2)14(8-20-4)19-13-7-11(17)5-6-12(13)18-15(19)10(3)16/h5-7,9-10,14H,8H2,1-4H3
InChIKeyYEFXEAQZVCRQSX-UHFFFAOYSA-N
XLogP4.83
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.83
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

6-chloro-2-(1-chloroethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole
CID 113316345
ethyl 2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]propanoate
CID 115471261
6-chloro-1-(2-methoxyethyl)-2-propan-2-ylbenzimidazole
CID 46309104
6-chloro-2-(1-chloroethyl)-1-(dicyclopropylmethyl)benzimidazole
CID 115471255
6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole
CID 113316296
6-chloro-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole
CID 115471085
1-[(4-bromophenyl)methyl]-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115470996
2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-N-ethylpropanamide
CID 115471241
1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310660
6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole
CID 115470751
6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole
CID 115471567
6-chloro-2-(1-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 115470773

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole?
The IUPAC name of 6-chloro-2-(1-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole (CID 115471645) is 6-chloro-2-(1-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole.
What is the SMILES notation for 6-chloro-2-(1-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole?
The canonical SMILES for 6-chloro-2-(1-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole is COCC(C(C)C)n1c(C(C)Cl)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(1-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole?
The InChIKey is YEFXEAQZVCRQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-9(2)14(8-20-4)19-13-7-11(17)5-6-12(13)18-15(19)10(3)16/h5-7,9-10,14H,8H2,1-4H3.
What are the key properties of 6-chloro-2-(1-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole?
6-chloro-2-(1-chloroethyl)-1-(1-methoxy-3-methylbutan-2-yl)benzimidazole has a molecular weight of 315.24 g/mol, XLogP of 4.83, 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-(1-methoxy-3-methylbutan-2-yl)benzimidazole is sourced from PubChem (CID 115471645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).