2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole

C16H16N2O — CID 924813

IUPAC2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole
SMILESCOc1ccc(Cc2nc3ccc(C)cc3[nH]2)cc1
InChIInChI=1S/C16H16N2O/c1-11-3-8-14-15(9-11)18-16(17-14)10-12-4-6-13(19-2)7-5-12/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyXXEOYYKCXQJBSG-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.47
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole

2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole (PubChem CID 924813) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole
PubChem CID924813
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole
SMILESCOc1ccc(Cc2nc3ccc(C)cc3[nH]2)cc1
InChIInChI=1S/C16H16N2O/c1-11-3-8-14-15(9-11)18-16(17-14)10-12-4-6-13(19-2)7-5-12/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyXXEOYYKCXQJBSG-UHFFFAOYSA-N
XLogP3.47
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole
CID 65017876
6-methoxy-2-(thiophen-3-ylmethyl)-1H-benzimidazole
CID 65017413
[2-[(3-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]methanamine
CID 79004539
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole
CID 27408365
2-[[(3S,4R)-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]oxymethyl]-6-methyl-1H-benzimidazole
CID 75410711
2-[(6-methyl-1H-benzimidazol-2-yl)methyl]phenol
CID 80740442
2-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-1H-benzimidazole
CID 60979184
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363
6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole
CID 60978374
1-(2-adamantyl)-3-[2-[(4-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]propan-2-one
CID 164959127
2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 19195701

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole (CID 924813) is 2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole is COc1ccc(Cc2nc3ccc(C)cc3[nH]2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole?
The InChIKey is XXEOYYKCXQJBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-3-8-14-15(9-11)18-16(17-14)10-12-4-6-13(19-2)7-5-12/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole?
2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole has a molecular weight of 252.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole is sourced from PubChem (CID 924813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).