1-[2-[(4-tert-butylphenyl)methylsulfanyl]-3-methylsulfanylpropyl]imidazole

C18H26N2S2 — CID 21423798

IUPAC1-[2-[(4-tert-butylphenyl)methylsulfanyl]-3-methylsulfanylpropyl]imidazole
SMILESCSCC(Cn1ccnc1)SCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H26N2S2/c1-18(2,3)16-7-5-15(6-8-16)12-22-17(13-21-4)11-20-10-9-19-14-20/h5-10,14,17H,11-13H2,1-4H3
InChIKeyAIUWHCJTZRDSAX-UHFFFAOYSA-N
MW334.55 g/mol
LogP4.85
Rot. Bonds7

About 1-[2-[(4-tert-butylphenyl)methylsulfanyl]-3-methylsulfanylpropyl]imidazole

1-[2-[(4-tert-butylphenyl)methylsulfanyl]-3-methylsulfanylpropyl]imidazole (PubChem CID 21423798) has the molecular formula C18H26N2S2 and a molecular weight of 334.55 g/mol. Its IUPAC name is 1-[2-[(4-tert-butylphenyl)methylsulfanyl]-3-methylsulfanylpropyl]imidazole.

Molecular Properties

Compound Name1-[2-[(4-tert-butylphenyl)methylsulfanyl]-3-methylsulfanylpropyl]imidazole
PubChem CID21423798
Molecular FormulaC18H26N2S2
Molecular Weight334.55 g/mol
Exact Mass334.15
IUPAC Name1-[2-[(4-tert-butylphenyl)methylsulfanyl]-3-methylsulfanylpropyl]imidazole
SMILESCSCC(Cn1ccnc1)SCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H26N2S2/c1-18(2,3)16-7-5-15(6-8-16)12-22-17(13-21-4)11-20-10-9-19-14-20/h5-10,14,17H,11-13H2,1-4H3
InChIKeyAIUWHCJTZRDSAX-UHFFFAOYSA-N
XLogP4.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-chlorophenyl)methylsulfanyl]-3-hexylsulfanylpropyl]imidazole
CID 54114920
1-[3-(4-tert-butylphenyl)sulfanyl-2-chloropropyl]imidazole
CID 23311306
1-(3-benzylsulfanyl-2-octylsulfanylpropyl)imidazole
CID 21423847
1-[2,2-bis[(4-methoxyphenyl)methylsulfanyl]ethyl]imidazole
CID 13320333
N-[1-(4-tert-butylphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43749787
1-[2-(2-tert-butylcyclohexyl)-2-[(4-chlorophenyl)methylsulfanyl]ethyl]imidazole
CID 21415254
1-[2,2-bis[(4-chlorophenyl)methylsulfanyl]ethyl]imidazole;hydrochloride
CID 13320313
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]ethyl]imidazole
CID 21402330
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(3,4-dichlorophenyl)ethyl]imidazole
CID 21402194
1-(4-tert-butylphenyl)-3-imidazol-1-ylpropan-2-one
CID 20518906
1-[2-(4-tert-butylphenyl)-4-(4-fluorophenoxy)butyl]imidazole
CID 170562612
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020442

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-tert-butylphenyl)methylsulfanyl]-3-methylsulfanylpropyl]imidazole?
The IUPAC name of 1-[2-[(4-tert-butylphenyl)methylsulfanyl]-3-methylsulfanylpropyl]imidazole (CID 21423798) is 1-[2-[(4-tert-butylphenyl)methylsulfanyl]-3-methylsulfanylpropyl]imidazole.
What is the SMILES notation for 1-[2-[(4-tert-butylphenyl)methylsulfanyl]-3-methylsulfanylpropyl]imidazole?
The canonical SMILES for 1-[2-[(4-tert-butylphenyl)methylsulfanyl]-3-methylsulfanylpropyl]imidazole is CSCC(Cn1ccnc1)SCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[2-[(4-tert-butylphenyl)methylsulfanyl]-3-methylsulfanylpropyl]imidazole?
The InChIKey is AIUWHCJTZRDSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S2/c1-18(2,3)16-7-5-15(6-8-16)12-22-17(13-21-4)11-20-10-9-19-14-20/h5-10,14,17H,11-13H2,1-4H3.
What are the key properties of 1-[2-[(4-tert-butylphenyl)methylsulfanyl]-3-methylsulfanylpropyl]imidazole?
1-[2-[(4-tert-butylphenyl)methylsulfanyl]-3-methylsulfanylpropyl]imidazole has a molecular weight of 334.55 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-tert-butylphenyl)methylsulfanyl]-3-methylsulfanylpropyl]imidazole is sourced from PubChem (CID 21423798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).