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

C23H27N7O2 — CID 51360336

IUPAC3-[1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCC(c1nnnn1-c1ccc(OC)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C23H27N7O2/c1-3-20(22-25-26-27-30(22)17-8-10-18(32-2)11-9-17)28-14-12-16(13-15-28)29-21-7-5-4-6-19(21)24-23(29)31/h4-11,16,20H,3,12-15H2,1-2H3,(H,24,31)
InChIKeyPNPGDONJIOTFBI-UHFFFAOYSA-N
MW433.52 g/mol
LogP3.10
Rot. Bonds6

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

3-[1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 51360336) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 3-[1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID51360336
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name3-[1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCC(c1nnnn1-c1ccc(OC)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C23H27N7O2/c1-3-20(22-25-26-27-30(22)17-8-10-18(32-2)11-9-17)28-14-12-16(13-15-28)29-21-7-5-4-6-19(21)24-23(29)31/h4-11,16,20H,3,12-15H2,1-2H3,(H,24,31)
InChIKeyPNPGDONJIOTFBI-UHFFFAOYSA-N
XLogP3.10
TPSA93.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 51360336) is 3-[1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one is CCC(c1nnnn1-c1ccc(OC)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is PNPGDONJIOTFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-3-20(22-25-26-27-30(22)17-8-10-18(32-2)11-9-17)28-14-12-16(13-15-28)29-21-7-5-4-6-19(21)24-23(29)31/h4-11,16,20H,3,12-15H2,1-2H3,(H,24,31).
What are the key properties of 3-[1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 433.52 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 51360336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).