3-[1-[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one

C25H32N4OS — CID 11743757

IUPAC3-[1-[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCSc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1
InChIInChI=1S/C25H32N4OS/c1-31-24-9-5-2-6-19(24)18-27-14-10-20(11-15-27)28-16-12-21(13-17-28)29-23-8-4-3-7-22(23)26-25(29)30/h2-9,20-21H,10-18H2,1H3,(H,26,30)
InChIKeyJQNHPIAIERIPBO-UHFFFAOYSA-N
MW436.63 g/mol
LogP4.35
Rot. Bonds5

About 3-[1-[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 11743757) has the molecular formula C25H32N4OS and a molecular weight of 436.63 g/mol. Its IUPAC name is 3-[1-[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID11743757
Molecular FormulaC25H32N4OS
Molecular Weight436.63 g/mol
Exact Mass436.23
IUPAC Name3-[1-[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCSc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1
InChIInChI=1S/C25H32N4OS/c1-31-24-9-5-2-6-19(24)18-27-14-10-20(11-15-27)28-16-12-21(13-17-28)29-23-8-4-3-7-22(23)26-25(29)30/h2-9,20-21H,10-18H2,1H3,(H,26,30)
InChIKeyJQNHPIAIERIPBO-UHFFFAOYSA-N
XLogP4.35
TPSA44.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.63
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

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Related Compounds

3-[1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 10476701
3-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735754
2-[2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenoxy]propanoic acid
CID 131935846
4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde
CID 21471554
N-(2-methylsulfanylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 24735703
3-[1-[(2-methylcyclopropyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968394
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 126769361
3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
3-[1-(2-phenylsulfanylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968600
3-[1-(4,4-dimethoxybutyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968490

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 11743757) is 3-[1-[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one is CSc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1.
What is the InChIKey of 3-[1-[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is JQNHPIAIERIPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4OS/c1-31-24-9-5-2-6-19(24)18-27-14-10-20(11-15-27)28-16-12-21(13-17-28)29-23-8-4-3-7-22(23)26-25(29)30/h2-9,20-21H,10-18H2,1H3,(H,26,30).
What are the key properties of 3-[1-[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 436.63 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 11743757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).