2-[(2,6-dimethoxyphenyl)methyl]-1H-benzimidazole

C16H16N2O2 — CID 139695649

IUPAC2-[(2,6-dimethoxyphenyl)methyl]-1H-benzimidazole
SMILESCOc1cccc(OC)c1Cc1nc2ccccc2[nH]1
InChIInChI=1S/C16H16N2O2/c1-19-14-8-5-9-15(20-2)11(14)10-16-17-12-6-3-4-7-13(12)18-16/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyVTJMUVOYOFIDRU-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.17
Rot. Bonds4

About 2-[(2,6-dimethoxyphenyl)methyl]-1H-benzimidazole

2-[(2,6-dimethoxyphenyl)methyl]-1H-benzimidazole (PubChem CID 139695649) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[(2,6-dimethoxyphenyl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2,6-dimethoxyphenyl)methyl]-1H-benzimidazole
PubChem CID139695649
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-[(2,6-dimethoxyphenyl)methyl]-1H-benzimidazole
SMILESCOc1cccc(OC)c1Cc1nc2ccccc2[nH]1
InChIInChI=1S/C16H16N2O2/c1-19-14-8-5-9-15(20-2)11(14)10-16-17-12-6-3-4-7-13(12)18-16/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyVTJMUVOYOFIDRU-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-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-benzimidazole
CID 141393324
2-[(4,5-dimethoxy-2-nitrophenyl)methyl]-1H-benzimidazole
CID 785635
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
3-(1H-benzimidazol-2-ylmethyl)aniline
CID 65346591
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407
2-benzyl-5,6-dimethoxy-1H-benzimidazole
CID 39158335
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2-methoxyphenyl)methyl]urea
CID 24612830
4-chloro-2-[(2-methoxyphenyl)methyl]-1H-benzimidazole
CID 60979217
2-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole
CID 165348409
CID 58296357
CID 58296357
N-(1H-benzimidazol-2-ylmethyl)-3-(2-methoxyphenyl)propanamide
CID 18105005

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethoxyphenyl)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(2,6-dimethoxyphenyl)methyl]-1H-benzimidazole (CID 139695649) is 2-[(2,6-dimethoxyphenyl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2,6-dimethoxyphenyl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(2,6-dimethoxyphenyl)methyl]-1H-benzimidazole is COc1cccc(OC)c1Cc1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(2,6-dimethoxyphenyl)methyl]-1H-benzimidazole?
The InChIKey is VTJMUVOYOFIDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-19-14-8-5-9-15(20-2)11(14)10-16-17-12-6-3-4-7-13(12)18-16/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 2-[(2,6-dimethoxyphenyl)methyl]-1H-benzimidazole?
2-[(2,6-dimethoxyphenyl)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 2-[(2,6-dimethoxyphenyl)methyl]-1H-benzimidazole is sourced from PubChem (CID 139695649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).