1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole

C16H16N2O — CID 940002

IUPAC1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole
SMILESCOc1ccccc1Cn1c(C)nc2ccccc21
InChIInChI=1S/C16H16N2O/c1-12-17-14-8-4-5-9-15(14)18(12)11-13-7-3-6-10-16(13)19-2/h3-10H,11H2,1-2H3
InChIKeyMFEDHMSIAWGIGY-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.40
Rot. Bonds3

About 1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole

1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole (PubChem CID 940002) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole
PubChem CID940002
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole
SMILESCOc1ccccc1Cn1c(C)nc2ccccc21
InChIInChI=1S/C16H16N2O/c1-12-17-14-8-4-5-9-15(14)18(12)11-13-7-3-6-10-16(13)19-2/h3-10H,11H2,1-2H3
InChIKeyMFEDHMSIAWGIGY-UHFFFAOYSA-N
XLogP3.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
(1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol
CID 755584
1-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylbenzimidazole
CID 17000268
1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
CID 709571
1-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995895
1-[(2-methoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole
CID 16998195
10-[(2-methoxyphenyl)methyl]benzo[g]pteridine-2,4-dione
CID 91937758
1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylbenzimidazole
CID 102879181
1-benzyl-N-[(2-methoxyphenyl)methyl]-2-methylbenzimidazol-5-amine
CID 1111671
(2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 879417
1-[(2-chloro-3-pyridinyl)methyl]-2-methylbenzimidazole
CID 62470224
2-[(4-ethylphenoxy)methyl]-1-[(2-methoxyphenyl)methyl]benzimidazole
CID 16998336

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole (CID 940002) is 1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole is COc1ccccc1Cn1c(C)nc2ccccc21.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole?
The InChIKey is MFEDHMSIAWGIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12-17-14-8-4-5-9-15(14)18(12)11-13-7-3-6-10-16(13)19-2/h3-10H,11H2,1-2H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole?
1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole has a molecular weight of 252.32 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole is sourced from PubChem (CID 940002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).