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

C22H31N7O — CID 51360360

IUPAC3-[1-[1-(1-cyclohexyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCC(c1nnnn1C1CCCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C22H31N7O/c1-2-19(21-24-25-26-29(21)17-8-4-3-5-9-17)27-14-12-16(13-15-27)28-20-11-7-6-10-18(20)23-22(28)30/h6-7,10-11,16-17,19H,2-5,8-9,12-15H2,1H3,(H,23,30)
InChIKeyDSBITVMEZIJQLK-UHFFFAOYSA-N
MW409.54 g/mol
LogP3.61
Rot. Bonds5

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

3-[1-[1-(1-cyclohexyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 51360360) has the molecular formula C22H31N7O and a molecular weight of 409.54 g/mol. Its IUPAC name is 3-[1-[1-(1-cyclohexyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[1-(1-cyclohexyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID51360360
Molecular FormulaC22H31N7O
Molecular Weight409.54 g/mol
Exact Mass409.26
IUPAC Name3-[1-[1-(1-cyclohexyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCC(c1nnnn1C1CCCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C22H31N7O/c1-2-19(21-24-25-26-29(21)17-8-4-3-5-9-17)27-14-12-16(13-15-27)28-20-11-7-6-10-18(20)23-22(28)30/h6-7,10-11,16-17,19H,2-5,8-9,12-15H2,1H3,(H,23,30)
InChIKeyDSBITVMEZIJQLK-UHFFFAOYSA-N
XLogP3.61
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[8-(1-tert-Butyl-1H-tetrazol-5-ylmethyl)-8-aza-bicyclo[3.2.1]oct-3-yl]-3-phenyl-urea
CID 648721
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-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360323
3-[1-[cyclopropyl-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360324
3-[1-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360344

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(1-cyclohexyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[1-(1-cyclohexyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 51360360) is 3-[1-[1-(1-cyclohexyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[1-(1-cyclohexyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[1-(1-cyclohexyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one is CCC(c1nnnn1C1CCCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-[1-(1-cyclohexyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is DSBITVMEZIJQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O/c1-2-19(21-24-25-26-29(21)17-8-4-3-5-9-17)27-14-12-16(13-15-27)28-20-11-7-6-10-18(20)23-22(28)30/h6-7,10-11,16-17,19H,2-5,8-9,12-15H2,1H3,(H,23,30).
What are the key properties of 3-[1-[1-(1-cyclohexyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[1-(1-cyclohexyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 409.54 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(1-cyclohexyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 51360360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).