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

C27H29N7O2 — CID 51360365

IUPAC3-[1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C(c2cc3ccccc3o2)c2nnnn2C2CCCC2)CC1
InChIInChI=1S/C27H29N7O2/c35-27-28-21-10-4-5-11-22(21)33(27)19-13-15-32(16-14-19)25(24-17-18-7-1-6-12-23(18)36-24)26-29-30-31-34(26)20-8-2-3-9-20/h1,4-7,10-12,17,19-20,25H,2-3,8-9,13-16H2,(H,28,35)
InChIKeyJJJGBDSWNXITMQ-UHFFFAOYSA-N
MW483.58 g/mol
LogP4.60
Rot. Bonds5

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

3-[1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 51360365) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is 3-[1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID51360365
Molecular FormulaC27H29N7O2
Molecular Weight483.58 g/mol
Exact Mass483.24
IUPAC Name3-[1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C(c2cc3ccccc3o2)c2nnnn2C2CCCC2)CC1
InChIInChI=1S/C27H29N7O2/c35-27-28-21-10-4-5-11-22(21)33(27)19-13-15-32(16-14-19)25(24-17-18-7-1-6-12-23(18)36-24)26-29-30-31-34(26)20-8-2-3-9-20/h1,4-7,10-12,17,19-20,25H,2-3,8-9,13-16H2,(H,28,35)
InChIKeyJJJGBDSWNXITMQ-UHFFFAOYSA-N
XLogP4.60
TPSA97.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 51360365) is 3-[1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(C(c2cc3ccccc3o2)c2nnnn2C2CCCC2)CC1.
What is the InChIKey of 3-[1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is JJJGBDSWNXITMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2/c35-27-28-21-10-4-5-11-22(21)33(27)19-13-15-32(16-14-19)25(24-17-18-7-1-6-12-23(18)36-24)26-29-30-31-34(26)20-8-2-3-9-20/h1,4-7,10-12,17,19-20,25H,2-3,8-9,13-16H2,(H,28,35).
What are the key properties of 3-[1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 483.58 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 51360365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).