1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethyl]-5,6-dimethylbenzimidazole

C22H26N2O2 — CID 2977614

IUPAC1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethyl]-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(CCOCCOc3ccc4c(c3)CCC4)c2cc1C
InChIInChI=1S/C22H26N2O2/c1-16-12-21-22(13-17(16)2)24(15-23-21)8-9-25-10-11-26-20-7-6-18-4-3-5-19(18)14-20/h6-7,12-15H,3-5,8-11H2,1-2H3
InChIKeyIQKITGGKLFMVJB-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.24
Rot. Bonds7

About 1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethyl]-5,6-dimethylbenzimidazole

1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethyl]-5,6-dimethylbenzimidazole (PubChem CID 2977614) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethyl]-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethyl]-5,6-dimethylbenzimidazole
PubChem CID2977614
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethyl]-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(CCOCCOc3ccc4c(c3)CCC4)c2cc1C
InChIInChI=1S/C22H26N2O2/c1-16-12-21-22(13-17(16)2)24(15-23-21)8-9-25-10-11-26-20-7-6-18-4-3-5-19(18)14-20/h6-7,12-15H,3-5,8-11H2,1-2H3
InChIKeyIQKITGGKLFMVJB-UHFFFAOYSA-N
XLogP4.24
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]benzimidazole
CID 934444
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-methylimidazole
CID 82084910
(2R,6R)-4-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethyl]-2,6-dimethylmorpholine
CID 7379777
5,6-dimethyl-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
CID 16995047
3-[2-(5,6-dimethylbenzimidazol-1-yl)ethoxy]benzonitrile
CID 112824317
5,6-dimethyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 962401
1-[2-(2-butoxyphenoxy)ethyl]-5,6-dimethylbenzimidazole
CID 2231812
1-[2-(2,4-dimethylphenoxy)ethyl]-5,6-dimethylbenzimidazole
CID 16995013
[4-[2-(5,6-dimethylbenzimidazol-1-yl)ethoxy]phenyl]-phenylmethanone;oxalic acid
CID 2977494
5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]pentan-1-amine
CID 82353669
5-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-1H-pyrazole
CID 82089026
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethyl]-5,6-dimethylbenzimidazole?
The IUPAC name of 1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethyl]-5,6-dimethylbenzimidazole (CID 2977614) is 1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethyl]-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethyl]-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethyl]-5,6-dimethylbenzimidazole is Cc1cc2ncn(CCOCCOc3ccc4c(c3)CCC4)c2cc1C.
What is the InChIKey of 1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethyl]-5,6-dimethylbenzimidazole?
The InChIKey is IQKITGGKLFMVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16-12-21-22(13-17(16)2)24(15-23-21)8-9-25-10-11-26-20-7-6-18-4-3-5-19(18)14-20/h6-7,12-15H,3-5,8-11H2,1-2H3.
What are the key properties of 1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethyl]-5,6-dimethylbenzimidazole?
1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethyl]-5,6-dimethylbenzimidazole has a molecular weight of 350.46 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethyl]-5,6-dimethylbenzimidazole is sourced from PubChem (CID 2977614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).