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

C27H33N7O — CID 51360367

IUPAC3-[1-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C(CCc2ccccc2)c2nnnn2C2CCCC2)CC1
InChIInChI=1S/C27H33N7O/c35-27-28-23-12-6-7-13-24(23)33(27)21-16-18-32(19-17-21)25(15-14-20-8-2-1-3-9-20)26-29-30-31-34(26)22-10-4-5-11-22/h1-3,6-9,12-13,21-22,25H,4-5,10-11,14-19H2,(H,28,35)
InChIKeyXOEGFQJJAYNIKA-UHFFFAOYSA-N
MW471.61 g/mol
LogP4.44
Rot. Bonds7

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

3-[1-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 51360367) has the molecular formula C27H33N7O and a molecular weight of 471.61 g/mol. Its IUPAC name is 3-[1-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID51360367
Molecular FormulaC27H33N7O
Molecular Weight471.61 g/mol
Exact Mass471.27
IUPAC Name3-[1-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C(CCc2ccccc2)c2nnnn2C2CCCC2)CC1
InChIInChI=1S/C27H33N7O/c35-27-28-23-12-6-7-13-24(23)33(27)21-16-18-32(19-17-21)25(15-14-20-8-2-1-3-9-20)26-29-30-31-34(26)22-10-4-5-11-22/h1-3,6-9,12-13,21-22,25H,4-5,10-11,14-19H2,(H,28,35)
InChIKeyXOEGFQJJAYNIKA-UHFFFAOYSA-N
XLogP4.44
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
8-(1-(1-cyclopentyl-1H-tetrazol-5-yl)-3-phenylpropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 51360083
3-[1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360323

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 51360367) is 3-[1-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(C(CCc2ccccc2)c2nnnn2C2CCCC2)CC1.
What is the InChIKey of 3-[1-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is XOEGFQJJAYNIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O/c35-27-28-23-12-6-7-13-24(23)33(27)21-16-18-32(19-17-21)25(15-14-20-8-2-1-3-9-20)26-29-30-31-34(26)22-10-4-5-11-22/h1-3,6-9,12-13,21-22,25H,4-5,10-11,14-19H2,(H,28,35).
What are the key properties of 3-[1-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 471.61 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 51360367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).