2-(3,5-dimethoxyphenyl)-4,6-dimethyl-1H-benzimidazole

C17H18N2O2 — CID 82942404

IUPAC2-(3,5-dimethoxyphenyl)-4,6-dimethyl-1H-benzimidazole
SMILESCOc1cc(OC)cc(-c2nc3c(C)cc(C)cc3[nH]2)c1
InChIInChI=1S/C17H18N2O2/c1-10-5-11(2)16-15(6-10)18-17(19-16)12-7-13(20-3)9-14(8-12)21-4/h5-9H,1-4H3,(H,18,19)
InChIKeyVWIUOJLONYPDQY-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.86
Rot. Bonds3

About 2-(3,5-dimethoxyphenyl)-4,6-dimethyl-1H-benzimidazole

2-(3,5-dimethoxyphenyl)-4,6-dimethyl-1H-benzimidazole (PubChem CID 82942404) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-4,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-4,6-dimethyl-1H-benzimidazole
PubChem CID82942404
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-(3,5-dimethoxyphenyl)-4,6-dimethyl-1H-benzimidazole
SMILESCOc1cc(OC)cc(-c2nc3c(C)cc(C)cc3[nH]2)c1
InChIInChI=1S/C17H18N2O2/c1-10-5-11(2)16-15(6-10)18-17(19-16)12-7-13(20-3)9-14(8-12)21-4/h5-9H,1-4H3,(H,18,19)
InChIKeyVWIUOJLONYPDQY-UHFFFAOYSA-N
XLogP3.86
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-4,6-dimethyl-1H-benzimidazole
CID 82946953
4,6-dimethyl-2-(5-methyl-3-pyridinyl)-1H-benzimidazole
CID 82946962
2-(4-fluorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 56773179
4,6-dibromo-2-(3,5-dimethoxyphenyl)-1H-benzimidazole
CID 91686527
2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 56773183
3-bromo-5-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 82947637
5-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine
CID 82947728
4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole
CID 56773162
[1-[3-(3,5-dimethoxyphenyl)-5-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-yl]methanamine
CID 118057725
2-[4-(chloromethyl)phenyl]-4,6-dimethyl-1H-benzimidazole
CID 82946949
2-(3,5-dimethoxyphenyl)-4-fluoro-1H-benzimidazole
CID 60977992
4-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-2-amine
CID 82946945

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-4,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-4,6-dimethyl-1H-benzimidazole (CID 82942404) is 2-(3,5-dimethoxyphenyl)-4,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-4,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-4,6-dimethyl-1H-benzimidazole is COc1cc(OC)cc(-c2nc3c(C)cc(C)cc3[nH]2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-4,6-dimethyl-1H-benzimidazole?
The InChIKey is VWIUOJLONYPDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-10-5-11(2)16-15(6-10)18-17(19-16)12-7-13(20-3)9-14(8-12)21-4/h5-9H,1-4H3,(H,18,19).
What are the key properties of 2-(3,5-dimethoxyphenyl)-4,6-dimethyl-1H-benzimidazole?
2-(3,5-dimethoxyphenyl)-4,6-dimethyl-1H-benzimidazole has a molecular weight of 282.34 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-4,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 82942404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).