3-[1-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one

C29H31N7O — CID 51360344

IUPAC3-[1-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C(CCc2ccccc2)c2nnnn2Cc2ccccc2)CC1
InChIInChI=1S/C29H31N7O/c37-29-30-25-13-7-8-14-26(25)36(29)24-17-19-34(20-18-24)27(16-15-22-9-3-1-4-10-22)28-31-32-33-35(28)21-23-11-5-2-6-12-23/h1-14,24,27H,15-21H2,(H,30,37)
InChIKeySEWNDJCITNTHMW-UHFFFAOYSA-N
MW493.62 g/mol
LogP4.38
Rot. Bonds8

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

3-[1-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 51360344) has the molecular formula C29H31N7O and a molecular weight of 493.62 g/mol. Its IUPAC name is 3-[1-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID51360344
Molecular FormulaC29H31N7O
Molecular Weight493.62 g/mol
Exact Mass493.26
IUPAC Name3-[1-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C(CCc2ccccc2)c2nnnn2Cc2ccccc2)CC1
InChIInChI=1S/C29H31N7O/c37-29-30-25-13-7-8-14-26(25)36(29)24-17-19-34(20-18-24)27(16-15-22-9-3-1-4-10-22)28-31-32-33-35(28)21-23-11-5-2-6-12-23/h1-14,24,27H,15-21H2,(H,30,37)
InChIKeySEWNDJCITNTHMW-UHFFFAOYSA-N
XLogP4.38
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.62
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-[(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360349
1-{1-[1-(4-Fluoro-benzyl)-1H-tetrazol-5-ylmethyl]-piperidin-4-yl}-3-(2-fluoro-phenyl)-urea
CID 651222
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
US10172843, Example 65
CID 121379942
3-[1-[1-(1-butyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360383
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

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 51360344) is 3-[1-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(C(CCc2ccccc2)c2nnnn2Cc2ccccc2)CC1.
What is the InChIKey of 3-[1-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is SEWNDJCITNTHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O/c37-29-30-25-13-7-8-14-26(25)36(29)24-17-19-34(20-18-24)27(16-15-22-9-3-1-4-10-22)28-31-32-33-35(28)21-23-11-5-2-6-12-23/h1-14,24,27H,15-21H2,(H,30,37).
What are the key properties of 3-[1-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 493.62 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 51360344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).