1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]benzimidazole

C18H18N2O — CID 934444

IUPAC1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]benzimidazole
SMILESc1ccc2c(c1)ncn2CCOc1ccc2c(c1)CCC2
InChIInChI=1S/C18H18N2O/c1-2-7-18-17(6-1)19-13-20(18)10-11-21-16-9-8-14-4-3-5-15(14)12-16/h1-2,6-9,12-13H,3-5,10-11H2
InChIKeyOERFBJBJQWRHQD-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.60
Rot. Bonds4

About 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]benzimidazole

1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]benzimidazole (PubChem CID 934444) has the molecular formula C18H18N2O and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]benzimidazole.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]benzimidazole
PubChem CID934444
Molecular FormulaC18H18N2O
Molecular Weight278.35 g/mol
Exact Mass278.14
IUPAC Name1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]benzimidazole
SMILESc1ccc2c(c1)ncn2CCOc1ccc2c(c1)CCC2
InChIInChI=1S/C18H18N2O/c1-2-7-18-17(6-1)19-13-20(18)10-11-21-16-9-8-14-4-3-5-15(14)12-16/h1-2,6-9,12-13H,3-5,10-11H2
InChIKeyOERFBJBJQWRHQD-UHFFFAOYSA-N
XLogP3.60
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethyl]-5,6-dimethylbenzimidazole
CID 2977614
1-[2-(4-chlorophenoxy)ethyl]benzimidazole
CID 803004
1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-methylimidazole
CID 82084910
1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole
CID 2871878
1-[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62446862
2-[3-(benzimidazol-1-yl)propyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111032862
1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 2150317
1-[2-[1-[2-[2-(benzimidazol-1-yl)ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl]benzimidazole
CID 71494815
2-(benzimidazol-1-yl)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide
CID 8823056
1-[[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]methyl]-2-methylbenzimidazole
CID 90039514
1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 16994975

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]benzimidazole?
The IUPAC name of 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]benzimidazole (CID 934444) is 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]benzimidazole.
What is the SMILES notation for 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]benzimidazole?
The canonical SMILES for 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]benzimidazole is c1ccc2c(c1)ncn2CCOc1ccc2c(c1)CCC2.
What is the InChIKey of 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]benzimidazole?
The InChIKey is OERFBJBJQWRHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-7-18-17(6-1)19-13-20(18)10-11-21-16-9-8-14-4-3-5-15(14)12-16/h1-2,6-9,12-13H,3-5,10-11H2.
What are the key properties of 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]benzimidazole?
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]benzimidazole has a molecular weight of 278.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]benzimidazole is sourced from PubChem (CID 934444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).