6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole

C16H16N2O2 — CID 65017876

IUPAC6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole
SMILESCOc1cccc(Cc2nc3ccc(OC)cc3[nH]2)c1
InChIInChI=1S/C16H16N2O2/c1-19-12-5-3-4-11(8-12)9-16-17-14-7-6-13(20-2)10-15(14)18-16/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyCREWTSQPTTTZFS-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.17
Rot. Bonds4

About 6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole

6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole (PubChem CID 65017876) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole
PubChem CID65017876
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole
SMILESCOc1cccc(Cc2nc3ccc(OC)cc3[nH]2)c1
InChIInChI=1S/C16H16N2O2/c1-19-12-5-3-4-11(8-12)9-16-17-14-7-6-13(20-2)10-15(14)18-16/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyCREWTSQPTTTZFS-UHFFFAOYSA-N
XLogP3.17
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]methanamine
CID 79004539
6-methoxy-2-(thiophen-3-ylmethyl)-1H-benzimidazole
CID 65017413
2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole
CID 924813
6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole
CID 27408365
5-methoxy-2-[(3-methoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridine
CID 65483071
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363
2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150
2-(6-methoxy-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 82337004
N-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfamoyl]-1-phenylmethanamine
CID 56860984
2-(chloromethyl)-6-methoxy-1H-benzimidazole;methane;(6-methoxy-1H-benzimidazol-2-yl)methanol
CID 161003256
5-bromo-2-[(3-methoxyphenyl)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106479173
2-[(3-chlorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazole
CID 62504109

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole (CID 65017876) is 6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole is COc1cccc(Cc2nc3ccc(OC)cc3[nH]2)c1.
What is the InChIKey of 6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole?
The InChIKey is CREWTSQPTTTZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-19-12-5-3-4-11(8-12)9-16-17-14-7-6-13(20-2)10-15(14)18-16/h3-8,10H,9H2,1-2H3,(H,17,18).
What are the key properties of 6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole?
6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole has a molecular weight of 268.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole is sourced from PubChem (CID 65017876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).