1-[(2-chloro-6-fluorophenyl)methyl]-2-(methoxymethyl)benzimidazole

C16H14ClFN2O — CID 718215

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-2-(methoxymethyl)benzimidazole
SMILESCOCc1nc2ccccc2n1Cc1c(F)cccc1Cl
InChIInChI=1S/C16H14ClFN2O/c1-21-10-16-19-14-7-2-3-8-15(14)20(16)9-11-12(17)5-4-6-13(11)18/h2-8H,9-10H2,1H3
InChIKeyOEBYJRYOUJILAI-UHFFFAOYSA-N
MW304.75 g/mol
LogP4.02
Rot. Bonds4

About 1-[(2-chloro-6-fluorophenyl)methyl]-2-(methoxymethyl)benzimidazole

1-[(2-chloro-6-fluorophenyl)methyl]-2-(methoxymethyl)benzimidazole (PubChem CID 718215) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-2-(methoxymethyl)benzimidazole.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-2-(methoxymethyl)benzimidazole
PubChem CID718215
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-2-(methoxymethyl)benzimidazole
SMILESCOCc1nc2ccccc2n1Cc1c(F)cccc1Cl
InChIInChI=1S/C16H14ClFN2O/c1-21-10-16-19-14-7-2-3-8-15(14)20(16)9-11-12(17)5-4-6-13(11)18/h2-8H,9-10H2,1H3
InChIKeyOEBYJRYOUJILAI-UHFFFAOYSA-N
XLogP4.02
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole
CID 962448
3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 2947354
1-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole
CID 18878249
1-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)benzimidazole
CID 19243364
1-[(2-chloro-6-fluorophenyl)methyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole
CID 18885542
[4-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 82150134
2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976055
1-[(2-chloro-6-fluorophenyl)methyl]benzimidazole-2-carbaldehyde
CID 53262926
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16979580
N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
CID 17007754
N-[(1R)-1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 34958984
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16976532

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-2-(methoxymethyl)benzimidazole?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-2-(methoxymethyl)benzimidazole (CID 718215) is 1-[(2-chloro-6-fluorophenyl)methyl]-2-(methoxymethyl)benzimidazole.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-2-(methoxymethyl)benzimidazole?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-2-(methoxymethyl)benzimidazole is COCc1nc2ccccc2n1Cc1c(F)cccc1Cl.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-2-(methoxymethyl)benzimidazole?
The InChIKey is OEBYJRYOUJILAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c1-21-10-16-19-14-7-2-3-8-15(14)20(16)9-11-12(17)5-4-6-13(11)18/h2-8H,9-10H2,1H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-2-(methoxymethyl)benzimidazole?
1-[(2-chloro-6-fluorophenyl)methyl]-2-(methoxymethyl)benzimidazole has a molecular weight of 304.75 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-2-(methoxymethyl)benzimidazole is sourced from PubChem (CID 718215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).