2-[3-(methoxymethyl)phenyl]-4-methyl-1H-benzimidazole

C16H16N2O — CID 103597249

IUPAC2-[3-(methoxymethyl)phenyl]-4-methyl-1H-benzimidazole
SMILESCOCc1cccc(-c2nc3c(C)cccc3[nH]2)c1
InChIInChI=1S/C16H16N2O/c1-11-5-3-8-14-15(11)18-16(17-14)13-7-4-6-12(9-13)10-19-2/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyRZMJQEGGVAESDG-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.68
Rot. Bonds3

About 2-[3-(methoxymethyl)phenyl]-4-methyl-1H-benzimidazole

2-[3-(methoxymethyl)phenyl]-4-methyl-1H-benzimidazole (PubChem CID 103597249) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)phenyl]-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(methoxymethyl)phenyl]-4-methyl-1H-benzimidazole
PubChem CID103597249
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-[3-(methoxymethyl)phenyl]-4-methyl-1H-benzimidazole
SMILESCOCc1cccc(-c2nc3c(C)cccc3[nH]2)c1
InChIInChI=1S/C16H16N2O/c1-11-5-3-8-14-15(11)18-16(17-14)13-7-4-6-12(9-13)10-19-2/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyRZMJQEGGVAESDG-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole
CID 64722904
N,N-dimethyl-2-[3-(4-methyl-1H-benzimidazol-2-yl)phenoxy]ethanamine
CID 59784797
6-bromo-2-[3-(chloromethyl)phenyl]-4-methyl-1H-benzimidazole
CID 113428428
4-methyl-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
CID 64723101
4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]morpholine
CID 103597251
2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1H-benzimidazole
CID 64722297
4-methyl-2-(2-methylphenyl)-1H-benzimidazole
CID 59018429
2-(2-methoxyethyl)-4-methyl-1H-benzimidazole
CID 64722498
4-benzyl-2-phenyl-1H-benzimidazole
CID 67700933
2-benzyl-4-methyl-1H-benzimidazole
CID 12948781
2-methyl-N-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]propan-1-amine
CID 44524672
2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole
CID 64722292

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)phenyl]-4-methyl-1H-benzimidazole?
The IUPAC name of 2-[3-(methoxymethyl)phenyl]-4-methyl-1H-benzimidazole (CID 103597249) is 2-[3-(methoxymethyl)phenyl]-4-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[3-(methoxymethyl)phenyl]-4-methyl-1H-benzimidazole?
The canonical SMILES for 2-[3-(methoxymethyl)phenyl]-4-methyl-1H-benzimidazole is COCc1cccc(-c2nc3c(C)cccc3[nH]2)c1.
What is the InChIKey of 2-[3-(methoxymethyl)phenyl]-4-methyl-1H-benzimidazole?
The InChIKey is RZMJQEGGVAESDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-5-3-8-14-15(11)18-16(17-14)13-7-4-6-12(9-13)10-19-2/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 2-[3-(methoxymethyl)phenyl]-4-methyl-1H-benzimidazole?
2-[3-(methoxymethyl)phenyl]-4-methyl-1H-benzimidazole has a molecular weight of 252.32 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)phenyl]-4-methyl-1H-benzimidazole is sourced from PubChem (CID 103597249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).