1-[2-(2-methoxyphenoxy)ethyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole

C17H22N2O2 — CID 116626591

IUPAC1-[2-(2-methoxyphenoxy)ethyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCOc1ccccc1OCCn1c(C)nc2c1CCCC2
InChIInChI=1S/C17H22N2O2/c1-13-18-14-7-3-4-8-15(14)19(13)11-12-21-17-10-6-5-9-16(17)20-2/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3
InChIKeyXLQKRZLYRXOCKV-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.16
Rot. Bonds5

About 1-[2-(2-methoxyphenoxy)ethyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole

1-[2-(2-methoxyphenoxy)ethyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 116626591) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenoxy)ethyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name1-[2-(2-methoxyphenoxy)ethyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
PubChem CID116626591
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[2-(2-methoxyphenoxy)ethyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCOc1ccccc1OCCn1c(C)nc2c1CCCC2
InChIInChI=1S/C17H22N2O2/c1-13-18-14-7-3-4-8-15(14)19(13)11-12-21-17-10-6-5-9-16(17)20-2/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3
InChIKeyXLQKRZLYRXOCKV-UHFFFAOYSA-N
XLogP3.16
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 103174131
1-[(4-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626601
1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626720
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
2-methoxy-3-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrimidin-4-one
CID 79370736
4-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3-thiazole
CID 115773628
1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine
CID 2984464
1-[(2,3-difluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626506
1-[2-(2-methoxyphenoxy)ethyl]pyrrole
CID 60650106
1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-one
CID 19794408
1-[2-(2-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine
CID 141005343
2-methyl-1-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole
CID 113343350

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole (CID 116626591) is 1-[2-(2-methoxyphenoxy)ethyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 1-[2-(2-methoxyphenoxy)ethyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 1-[2-(2-methoxyphenoxy)ethyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole is COc1ccccc1OCCn1c(C)nc2c1CCCC2.
What is the InChIKey of 1-[2-(2-methoxyphenoxy)ethyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is XLQKRZLYRXOCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-18-14-7-3-4-8-15(14)19(13)11-12-21-17-10-6-5-9-16(17)20-2/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyphenoxy)ethyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
1-[2-(2-methoxyphenoxy)ethyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 286.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenoxy)ethyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 116626591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).