6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-methylbenzimidazole

C17H17ClN2O — CID 46310370

IUPAC6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-methylbenzimidazole
SMILESCc1ccc(OCc2nc3ccc(Cl)cc3n2C)c(C)c1
InChIInChI=1S/C17H17ClN2O/c1-11-4-7-16(12(2)8-11)21-10-17-19-14-6-5-13(18)9-15(14)20(17)3/h4-9H,10H2,1-3H3
InChIKeyKREOOZKFULCSBP-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.42
Rot. Bonds3

About 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-methylbenzimidazole

6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-methylbenzimidazole (PubChem CID 46310370) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-methylbenzimidazole
PubChem CID46310370
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-methylbenzimidazole
SMILESCc1ccc(OCc2nc3ccc(Cl)cc3n2C)c(C)c1
InChIInChI=1S/C17H17ClN2O/c1-11-4-7-16(12(2)8-11)21-10-17-19-14-6-5-13(18)9-15(14)20(17)3/h4-9H,10H2,1-3H3
InChIKeyKREOOZKFULCSBP-UHFFFAOYSA-N
XLogP4.42
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole
CID 46310358
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-methoxyethyl)benzimidazole
CID 46309156
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole
CID 46309291
6-chloro-1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole
CID 46310363
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(furan-2-ylmethyl)benzimidazole
CID 46310252
4-[3-[6-chloro-2-[(2,4-dimethylphenoxy)methyl]benzimidazol-1-yl]propyl]morpholine
CID 46309567
5-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole
CID 46309290
5-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole
CID 46310357
5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,4-dimethylphenoxy)methyl]benzimidazole
CID 46309847
6-(2,5-dimethylphenoxy)-1-methyl-2-[(4-methylphenoxy)methyl]benzimidazole
CID 144679006
N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-methylaniline
CID 115472350
2-[(2,4-dimethylphenoxy)methyl]-1-(2-methylpropyl)benzimidazole
CID 46310807

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-methylbenzimidazole?
The IUPAC name of 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-methylbenzimidazole (CID 46310370) is 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-methylbenzimidazole.
What is the SMILES notation for 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-methylbenzimidazole?
The canonical SMILES for 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-methylbenzimidazole is Cc1ccc(OCc2nc3ccc(Cl)cc3n2C)c(C)c1.
What is the InChIKey of 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-methylbenzimidazole?
The InChIKey is KREOOZKFULCSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-11-4-7-16(12(2)8-11)21-10-17-19-14-6-5-13(18)9-15(14)20(17)3/h4-9H,10H2,1-3H3.
What are the key properties of 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-methylbenzimidazole?
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-methylbenzimidazole has a molecular weight of 300.79 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-methylbenzimidazole is sourced from PubChem (CID 46310370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).