6-methoxy-1-(phenylmethoxymethyl)-4,7-dihydrobenzimidazole

C16H18N2O2 — CID 73292795

IUPAC6-methoxy-1-(phenylmethoxymethyl)-4,7-dihydrobenzimidazole
SMILESCOC1=CCc2ncn(COCc3ccccc3)c2C1
InChIInChI=1S/C16H18N2O2/c1-19-14-7-8-15-16(9-14)18(11-17-15)12-20-10-13-5-3-2-4-6-13/h2-7,11H,8-10,12H2,1H3
InChIKeyQADUBBRKNMETFM-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.69
Rot. Bonds5

About 6-methoxy-1-(phenylmethoxymethyl)-4,7-dihydrobenzimidazole

6-methoxy-1-(phenylmethoxymethyl)-4,7-dihydrobenzimidazole (PubChem CID 73292795) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-methoxy-1-(phenylmethoxymethyl)-4,7-dihydrobenzimidazole.

Molecular Properties

Compound Name6-methoxy-1-(phenylmethoxymethyl)-4,7-dihydrobenzimidazole
PubChem CID73292795
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name6-methoxy-1-(phenylmethoxymethyl)-4,7-dihydrobenzimidazole
SMILESCOC1=CCc2ncn(COCc3ccccc3)c2C1
InChIInChI=1S/C16H18N2O2/c1-19-14-7-8-15-16(9-14)18(11-17-15)12-20-10-13-5-3-2-4-6-13/h2-7,11H,8-10,12H2,1H3
InChIKeyQADUBBRKNMETFM-UHFFFAOYSA-N
XLogP2.69
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-difluoro-1-(phenylmethoxymethyl)benzimidazole
CID 102940721
2-[5-iodo-3-(phenylmethoxymethyl)imidazol-4-yl]acetaldehyde
CID 53393353
4-[(3,5-dibromo-4-hydroxyphenyl)methyl]-6-methyl-3-(phenylmethoxymethyl)-7,8-dihydro-4H-imidazo[4,5-d]azepin-5-one
CID 102124576
lithium 7-methoxy-1-(phenylmethoxymethyl)-3H-pyrrolo[2,3-c]pyridin-3-ide
CID 18741360
ethane;phenylmethoxymethylbenzene
CID 90943549
4-(chloromethyl)-1,3-dimethyl-5-phenylmethoxypyrazole
CID 28964580
1-(phenylmethoxymethyl)-3-propan-2-ylimidazol-2-one
CID 102940740
3-O-benzyl 5-O-methyl 1-methylpyrazole-3,5-dicarboxylate
CID 10956696
5-(1,3-dioxolan-2-yl)-1-(phenylmethoxymethyl)imidazole
CID 14909938
4-ethoxy-1-(phenylmethoxymethyl)indole
CID 102940706
2-[1-(phenylmethoxymethyl)imidazol-2-yl]ethanamine
CID 102940394
[(Z)-pent-3-enoxy]methylbenzene
CID 13428364

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(phenylmethoxymethyl)-4,7-dihydrobenzimidazole?
The IUPAC name of 6-methoxy-1-(phenylmethoxymethyl)-4,7-dihydrobenzimidazole (CID 73292795) is 6-methoxy-1-(phenylmethoxymethyl)-4,7-dihydrobenzimidazole.
What is the SMILES notation for 6-methoxy-1-(phenylmethoxymethyl)-4,7-dihydrobenzimidazole?
The canonical SMILES for 6-methoxy-1-(phenylmethoxymethyl)-4,7-dihydrobenzimidazole is COC1=CCc2ncn(COCc3ccccc3)c2C1.
What is the InChIKey of 6-methoxy-1-(phenylmethoxymethyl)-4,7-dihydrobenzimidazole?
The InChIKey is QADUBBRKNMETFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-19-14-7-8-15-16(9-14)18(11-17-15)12-20-10-13-5-3-2-4-6-13/h2-7,11H,8-10,12H2,1H3.
What are the key properties of 6-methoxy-1-(phenylmethoxymethyl)-4,7-dihydrobenzimidazole?
6-methoxy-1-(phenylmethoxymethyl)-4,7-dihydrobenzimidazole has a molecular weight of 270.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(phenylmethoxymethyl)-4,7-dihydrobenzimidazole is sourced from PubChem (CID 73292795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).