3-[1-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one

C23H33N7OS — CID 51360363

IUPAC3-[1-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCSCCC(c1nnnn1C1CCCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C23H33N7OS/c1-32-16-13-21(22-25-26-27-30(22)18-7-3-2-4-8-18)28-14-11-17(12-15-28)29-20-10-6-5-9-19(20)24-23(29)31/h5-6,9-10,17-18,21H,2-4,7-8,11-16H2,1H3,(H,24,31)
InChIKeyRHFOLSAUNCDIDT-UHFFFAOYSA-N
MW455.63 g/mol
LogP3.95
Rot. Bonds7

About 3-[1-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 51360363) has the molecular formula C23H33N7OS and a molecular weight of 455.63 g/mol. Its IUPAC name is 3-[1-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID51360363
Molecular FormulaC23H33N7OS
Molecular Weight455.63 g/mol
Exact Mass455.25
IUPAC Name3-[1-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCSCCC(c1nnnn1C1CCCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C23H33N7OS/c1-32-16-13-21(22-25-26-27-30(22)18-7-3-2-4-8-18)28-14-11-17(12-15-28)29-20-10-6-5-9-19(20)24-23(29)31/h5-6,9-10,17-18,21H,2-4,7-8,11-16H2,1H3,(H,24,31)
InChIKeyRHFOLSAUNCDIDT-UHFFFAOYSA-N
XLogP3.95
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.63
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[1-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

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Related Compounds

3-[1-[(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360349
3-[1-[1-(1-benzyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360348
3-[1-[1-(1-benzyltetrazol-5-yl)-3-methylsulfanylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360352
3-[1-[(1-cyclohexyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360358
3-[1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360376
3-[1-[1-(1-tert-butyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360393
3-[1-[(1-benzyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360353
3-[1-[1-(1-butyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360383
1-[1-(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-piperidin-4-yl]-3-phenyl-urea
CID 647359
3-[1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylsulfanylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360329
3-[1-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360344
3-[1-[(1-benzyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360346

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 51360363) is 3-[1-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one is CSCCC(c1nnnn1C1CCCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is RHFOLSAUNCDIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7OS/c1-32-16-13-21(22-25-26-27-30(22)18-7-3-2-4-8-18)28-14-11-17(12-15-28)29-20-10-6-5-9-19(20)24-23(29)31/h5-6,9-10,17-18,21H,2-4,7-8,11-16H2,1H3,(H,24,31).
What are the key properties of 3-[1-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 455.63 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(1-cyclohexyltetrazol-5-yl)-3-methylsulfanylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 51360363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).