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

C21H29N7O — CID 51360371

IUPAC3-[1-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCC(c1nnnn1C1CCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C21H29N7O/c1-2-18(20-23-24-25-28(20)16-7-3-4-8-16)26-13-11-15(12-14-26)27-19-10-6-5-9-17(19)22-21(27)29/h5-6,9-10,15-16,18H,2-4,7-8,11-14H2,1H3,(H,22,29)
InChIKeySBPVFWOOODLEPL-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.22
Rot. Bonds5

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

3-[1-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 51360371) has the molecular formula C21H29N7O and a molecular weight of 395.51 g/mol. Its IUPAC name is 3-[1-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID51360371
Molecular FormulaC21H29N7O
Molecular Weight395.51 g/mol
Exact Mass395.24
IUPAC Name3-[1-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCC(c1nnnn1C1CCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C21H29N7O/c1-2-18(20-23-24-25-28(20)16-7-3-4-8-16)26-13-11-15(12-14-26)27-19-10-6-5-9-17(19)22-21(27)29/h5-6,9-10,15-16,18H,2-4,7-8,11-14H2,1H3,(H,22,29)
InChIKeySBPVFWOOODLEPL-UHFFFAOYSA-N
XLogP3.22
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 51360371) is 3-[1-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one is CCC(c1nnnn1C1CCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is SBPVFWOOODLEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O/c1-2-18(20-23-24-25-28(20)16-7-3-4-8-16)26-13-11-15(12-14-26)27-19-10-6-5-9-17(19)22-21(27)29/h5-6,9-10,15-16,18H,2-4,7-8,11-14H2,1H3,(H,22,29).
What are the key properties of 3-[1-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 395.51 g/mol, XLogP of 3.22, 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-cyclopentyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 51360371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).