1-[(2-tert-butyl-5-methylsulfanylbenzimidazol-1-yl)methyl]cyclopentan-1-ol

C18H26N2OS — CID 143224299

IUPAC1-[(2-tert-butyl-5-methylsulfanylbenzimidazol-1-yl)methyl]cyclopentan-1-ol
SMILESCSc1ccc2c(c1)nc(C(C)(C)C)n2CC1(O)CCCC1
InChIInChI=1S/C18H26N2OS/c1-17(2,3)16-19-14-11-13(22-4)7-8-15(14)20(16)12-18(21)9-5-6-10-18/h7-8,11,21H,5-6,9-10,12H2,1-4H3
InChIKeyRQGWCDOLYOEBNO-UHFFFAOYSA-N
MW318.49 g/mol
LogP4.36
Rot. Bonds3

About 1-[(2-tert-butyl-5-methylsulfanylbenzimidazol-1-yl)methyl]cyclopentan-1-ol

1-[(2-tert-butyl-5-methylsulfanylbenzimidazol-1-yl)methyl]cyclopentan-1-ol (PubChem CID 143224299) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is 1-[(2-tert-butyl-5-methylsulfanylbenzimidazol-1-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2-tert-butyl-5-methylsulfanylbenzimidazol-1-yl)methyl]cyclopentan-1-ol
PubChem CID143224299
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC Name1-[(2-tert-butyl-5-methylsulfanylbenzimidazol-1-yl)methyl]cyclopentan-1-ol
SMILESCSc1ccc2c(c1)nc(C(C)(C)C)n2CC1(O)CCCC1
InChIInChI=1S/C18H26N2OS/c1-17(2,3)16-19-14-11-13(22-4)7-8-15(14)20(16)12-18(21)9-5-6-10-18/h7-8,11,21H,5-6,9-10,12H2,1-4H3
InChIKeyRQGWCDOLYOEBNO-UHFFFAOYSA-N
XLogP4.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-tert-butyl-1-[(1-hydroxycyclopentyl)methyl]benzimidazol-5-yl]sulfanylacetate
CID 91338809
2-[2-tert-butyl-1-[(1-hydroxycyclohexyl)methyl]benzimidazol-5-yl]sulfonyl-2-methylpropanoic acid
CID 68926285
2-tert-butyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
CID 63830504
2-tert-butyl-1-ethyl-5-pyrrolidin-1-ylsulfanylbenzimidazole
CID 143561916
2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol
CID 62493612
1-[2-tert-butyl-1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-5-yl]sulfanylazetidin-3-ol
CID 143562116
1-[2-tert-butyl-1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-5-yl]sulfanylpyrrolidin-3-ol
CID 143562021
1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol
CID 65210779
1-[[(7-methylsulfanyl-2-morpholin-4-ylquinolin-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 118758522
1-[(4-methylsulfanylanilino)methyl]cyclohexan-1-ol
CID 60899212
1-[(2-aminobenzimidazol-1-yl)methyl]cyclopentan-1-ol
CID 126846264
N-[2-tert-butyl-1-[(2-methyloxan-2-yl)methyl]benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 71067106

Frequently Asked Questions

What is the IUPAC name of 1-[(2-tert-butyl-5-methylsulfanylbenzimidazol-1-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(2-tert-butyl-5-methylsulfanylbenzimidazol-1-yl)methyl]cyclopentan-1-ol (CID 143224299) is 1-[(2-tert-butyl-5-methylsulfanylbenzimidazol-1-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(2-tert-butyl-5-methylsulfanylbenzimidazol-1-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(2-tert-butyl-5-methylsulfanylbenzimidazol-1-yl)methyl]cyclopentan-1-ol is CSc1ccc2c(c1)nc(C(C)(C)C)n2CC1(O)CCCC1.
What is the InChIKey of 1-[(2-tert-butyl-5-methylsulfanylbenzimidazol-1-yl)methyl]cyclopentan-1-ol?
The InChIKey is RQGWCDOLYOEBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2OS/c1-17(2,3)16-19-14-11-13(22-4)7-8-15(14)20(16)12-18(21)9-5-6-10-18/h7-8,11,21H,5-6,9-10,12H2,1-4H3.
What are the key properties of 1-[(2-tert-butyl-5-methylsulfanylbenzimidazol-1-yl)methyl]cyclopentan-1-ol?
1-[(2-tert-butyl-5-methylsulfanylbenzimidazol-1-yl)methyl]cyclopentan-1-ol has a molecular weight of 318.49 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-tert-butyl-5-methylsulfanylbenzimidazol-1-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 143224299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).