2-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-1H-benzimidazole

C18H20N2O — CID 60979184

IUPAC2-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-1H-benzimidazole
SMILESCOc1ccc(CCc2nc3cc(C)c(C)cc3[nH]2)cc1
InChIInChI=1S/C18H20N2O/c1-12-10-16-17(11-13(12)2)20-18(19-16)9-6-14-4-7-15(21-3)8-5-14/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,19,20)
InChIKeyHOFXKDAOAJUMBP-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.97
Rot. Bonds4

About 2-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-1H-benzimidazole

2-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-1H-benzimidazole (PubChem CID 60979184) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-1H-benzimidazole
PubChem CID60979184
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-1H-benzimidazole
SMILESCOc1ccc(CCc2nc3cc(C)c(C)cc3[nH]2)cc1
InChIInChI=1S/C18H20N2O/c1-12-10-16-17(11-13(12)2)20-18(19-16)9-6-14-4-7-15(21-3)8-5-14/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,19,20)
InChIKeyHOFXKDAOAJUMBP-UHFFFAOYSA-N
XLogP3.97
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dichloro-2-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole
CID 82005586
tetrakis(5,6-dimethyl-2-(2-phenylethyl)-1H-benzimidazole);dihydrate
CID 139062819
5,6-dimethoxy-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 39158365
2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole
CID 924813
5,6-dichloro-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 39158463
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine
CID 62336189
2-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 82336988
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 46975099
2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine
CID 63725024
4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol
CID 79200644
5-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 56858288
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-1H-benzimidazole (CID 60979184) is 2-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-1H-benzimidazole is COc1ccc(CCc2nc3cc(C)c(C)cc3[nH]2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-1H-benzimidazole?
The InChIKey is HOFXKDAOAJUMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12-10-16-17(11-13(12)2)20-18(19-16)9-6-14-4-7-15(21-3)8-5-14/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-1H-benzimidazole?
2-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-1H-benzimidazole has a molecular weight of 280.37 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 60979184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).