6-chloro-1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole

C16H15ClN2O — CID 46310363

IUPAC6-chloro-1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole
SMILESCc1cccc(OCc2nc3ccc(Cl)cc3n2C)c1
InChIInChI=1S/C16H15ClN2O/c1-11-4-3-5-13(8-11)20-10-16-18-14-7-6-12(17)9-15(14)19(16)2/h3-9H,10H2,1-2H3
InChIKeyYFZLSBROHRXWRW-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.11
Rot. Bonds3

About 6-chloro-1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole

6-chloro-1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole (PubChem CID 46310363) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 6-chloro-1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name6-chloro-1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole
PubChem CID46310363
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name6-chloro-1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole
SMILESCc1cccc(OCc2nc3ccc(Cl)cc3n2C)c1
InChIInChI=1S/C16H15ClN2O/c1-11-4-3-5-13(8-11)20-10-16-18-14-7-6-12(17)9-15(14)19(16)2/h3-9H,10H2,1-2H3
InChIKeyYFZLSBROHRXWRW-UHFFFAOYSA-N
XLogP4.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-[(3-methylphenoxy)methyl]-1-propan-2-ylbenzimidazole
CID 46310633
6-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-methylbenzimidazole
CID 46310370
5-chloro-1-methyl-2-[(3-methylphenoxy)methyl]indole
CID 117176751
6-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole
CID 46310358
5-chloro-1-methyl-2-(phenoxymethyl)benzimidazole
CID 46310360
2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16997088
3-[5-chloro-2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 46308883
1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997881
2-[(2,4-dichlorophenoxy)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 16997219
1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997947
6-chloro-1-(2-methoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 46309145
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997884

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole?
The IUPAC name of 6-chloro-1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole (CID 46310363) is 6-chloro-1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole.
What is the SMILES notation for 6-chloro-1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole?
The canonical SMILES for 6-chloro-1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole is Cc1cccc(OCc2nc3ccc(Cl)cc3n2C)c1.
What is the InChIKey of 6-chloro-1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole?
The InChIKey is YFZLSBROHRXWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-11-4-3-5-13(8-11)20-10-16-18-14-7-6-12(17)9-15(14)19(16)2/h3-9H,10H2,1-2H3.
What are the key properties of 6-chloro-1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole?
6-chloro-1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole has a molecular weight of 286.76 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 46310363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).