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

C20H29N7O — CID 51360383

IUPAC3-[1-[1-(1-butyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCCCn1nnnc1C(CC)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C20H29N7O/c1-3-5-12-26-19(22-23-24-26)17(4-2)25-13-10-15(11-14-25)27-18-9-7-6-8-16(18)21-20(27)28/h6-9,15,17H,3-5,10-14H2,1-2H3,(H,21,28)
InChIKeySVYWPHCHZXOQDY-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.90
Rot. Bonds7

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

3-[1-[1-(1-butyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 51360383) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is 3-[1-[1-(1-butyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[1-(1-butyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID51360383
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name3-[1-[1-(1-butyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCCCn1nnnc1C(CC)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C20H29N7O/c1-3-5-12-26-19(22-23-24-26)17(4-2)25-13-10-15(11-14-25)27-18-9-7-6-8-16(18)21-20(27)28/h6-9,15,17H,3-5,10-14H2,1-2H3,(H,21,28)
InChIKeySVYWPHCHZXOQDY-UHFFFAOYSA-N
XLogP2.90
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.90
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-butyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[1-(1-butyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 51360383) is 3-[1-[1-(1-butyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[1-(1-butyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[1-(1-butyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one is CCCCn1nnnc1C(CC)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-[1-(1-butyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is SVYWPHCHZXOQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-3-5-12-26-19(22-23-24-26)17(4-2)25-13-10-15(11-14-25)27-18-9-7-6-8-16(18)21-20(27)28/h6-9,15,17H,3-5,10-14H2,1-2H3,(H,21,28).
What are the key properties of 3-[1-[1-(1-butyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[1-(1-butyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 383.50 g/mol, XLogP of 2.90, 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-butyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 51360383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).