5-chloro-1-methyl-2-(phenoxymethyl)benzimidazole

C15H13ClN2O — CID 46310360

IUPAC5-chloro-1-methyl-2-(phenoxymethyl)benzimidazole
SMILESCn1c(COc2ccccc2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H13ClN2O/c1-18-14-8-7-11(16)9-13(14)17-15(18)10-19-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeySJDSINLVSQABON-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.81
Rot. Bonds3

About 5-chloro-1-methyl-2-(phenoxymethyl)benzimidazole

5-chloro-1-methyl-2-(phenoxymethyl)benzimidazole (PubChem CID 46310360) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 5-chloro-1-methyl-2-(phenoxymethyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-1-methyl-2-(phenoxymethyl)benzimidazole
PubChem CID46310360
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name5-chloro-1-methyl-2-(phenoxymethyl)benzimidazole
SMILESCn1c(COc2ccccc2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H13ClN2O/c1-18-14-8-7-11(16)9-13(14)17-15(18)10-19-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeySJDSINLVSQABON-UHFFFAOYSA-N
XLogP3.81
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(phenoxymethyl)-1-propan-2-ylbenzimidazole
CID 46310630
5-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole
CID 46310357
6-chloro-1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole
CID 46310363
6-chloro-1-(2-methoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 46309145
2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol
CID 46308197
5-chloro-1-(2-methoxyethyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 46309158
2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 71308073
1-(3-bromopropyl)-5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazole
CID 21188782
5-chloro-1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 46310917
3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 46309007
5-chloro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole
CID 55251116
6-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole
CID 46310358

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-2-(phenoxymethyl)benzimidazole?
The IUPAC name of 5-chloro-1-methyl-2-(phenoxymethyl)benzimidazole (CID 46310360) is 5-chloro-1-methyl-2-(phenoxymethyl)benzimidazole.
What is the SMILES notation for 5-chloro-1-methyl-2-(phenoxymethyl)benzimidazole?
The canonical SMILES for 5-chloro-1-methyl-2-(phenoxymethyl)benzimidazole is Cn1c(COc2ccccc2)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-methyl-2-(phenoxymethyl)benzimidazole?
The InChIKey is SJDSINLVSQABON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-18-14-8-7-11(16)9-13(14)17-15(18)10-19-12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 5-chloro-1-methyl-2-(phenoxymethyl)benzimidazole?
5-chloro-1-methyl-2-(phenoxymethyl)benzimidazole has a molecular weight of 272.74 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-2-(phenoxymethyl)benzimidazole is sourced from PubChem (CID 46310360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).