ethane;2-[(2-hexylbenzimidazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane

C21H38N2OS — CID 145298097

IUPACethane;2-[(2-hexylbenzimidazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane
SMILESCC.CCCCCCc1nc2ccccc2n1COCCS(C)(C)C
InChIInChI=1S/C19H32N2OS.C2H6/c1-5-6-7-8-13-19-20-17-11-9-10-12-18(17)21(19)16-22-14-15-23(2,3)4;1-2/h9-12H,5-8,13-16H2,1-4H3;1-2H3
InChIKeyWASODLKQOZLKDN-UHFFFAOYSA-N
MW366.62 g/mol
LogP5.85
Rot. Bonds10

About ethane;2-[(2-hexylbenzimidazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane

ethane;2-[(2-hexylbenzimidazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane (PubChem CID 145298097) has the molecular formula C21H38N2OS and a molecular weight of 366.62 g/mol. Its IUPAC name is ethane;2-[(2-hexylbenzimidazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane.

Molecular Properties

Compound Nameethane;2-[(2-hexylbenzimidazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane
PubChem CID145298097
Molecular FormulaC21H38N2OS
Molecular Weight366.62 g/mol
Exact Mass366.27
IUPAC Nameethane;2-[(2-hexylbenzimidazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane
SMILESCC.CCCCCCc1nc2ccccc2n1COCCS(C)(C)C
InChIInChI=1S/C19H32N2OS.C2H6/c1-5-6-7-8-13-19-20-17-11-9-10-12-18(17)21(19)16-22-14-15-23(2,3)4;1-2/h9-12H,5-8,13-16H2,1-4H3;1-2H3
InChIKeyWASODLKQOZLKDN-UHFFFAOYSA-N
XLogP5.85
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.62
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
1-ethyl-2-pentylbenzimidazole
CID 3463966
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
10-(1-butylbenzimidazol-2-yl)decan-1-amine
CID 92629122
3-(2-nonylbenzimidazol-1-yl)propanenitrile
CID 3414189
1-Benzyl-2-heptadecyl-1H-benzimidazole,disulfo derivative,sodium salt
CID 90473584
1-phenyl-2-tridecylbenzimidazole
CID 24821367
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166
1-(hexoxymethyl)-2-[6-[1-(hexoxymethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;iron(2+);dichloride
CID 70013202
N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750802

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(2-hexylbenzimidazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane?
The IUPAC name of ethane;2-[(2-hexylbenzimidazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane (CID 145298097) is ethane;2-[(2-hexylbenzimidazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane.
What is the SMILES notation for ethane;2-[(2-hexylbenzimidazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane?
The canonical SMILES for ethane;2-[(2-hexylbenzimidazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane is CC.CCCCCCc1nc2ccccc2n1COCCS(C)(C)C.
What is the InChIKey of ethane;2-[(2-hexylbenzimidazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane?
The InChIKey is WASODLKQOZLKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2OS.C2H6/c1-5-6-7-8-13-19-20-17-11-9-10-12-18(17)21(19)16-22-14-15-23(2,3)4;1-2/h9-12H,5-8,13-16H2,1-4H3;1-2H3.
What are the key properties of ethane;2-[(2-hexylbenzimidazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane?
ethane;2-[(2-hexylbenzimidazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane has a molecular weight of 366.62 g/mol, XLogP of 5.85, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(2-hexylbenzimidazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane is sourced from PubChem (CID 145298097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).