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

C26H29N7O2 — CID 154929711

IUPAC3-[1-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC(C)(C)n1nnnc1C(c1cc2ccccc2o1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C26H29N7O2/c1-26(2,3)33-24(28-29-30-33)23(22-16-17-8-4-7-11-21(17)35-22)31-14-12-18(13-15-31)32-20-10-6-5-9-19(20)27-25(32)34/h4-11,16,18,23H,12-15H2,1-3H3,(H,27,34)
InChIKeyVECKSACPFYLBMZ-UHFFFAOYSA-N
MW471.57 g/mol
LogP4.24
Rot. Bonds4

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

3-[1-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 154929711) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is 3-[1-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID154929711
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC Name3-[1-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC(C)(C)n1nnnc1C(c1cc2ccccc2o1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C26H29N7O2/c1-26(2,3)33-24(28-29-30-33)23(22-16-17-8-4-7-11-21(17)35-22)31-14-12-18(13-15-31)32-20-10-6-5-9-19(20)27-25(32)34/h4-11,16,18,23H,12-15H2,1-3H3,(H,27,34)
InChIKeyVECKSACPFYLBMZ-UHFFFAOYSA-N
XLogP4.24
TPSA97.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 54.24
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-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 154929711) is 3-[1-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one is CC(C)(C)n1nnnc1C(c1cc2ccccc2o1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is VECKSACPFYLBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-26(2,3)33-24(28-29-30-33)23(22-16-17-8-4-7-11-21(17)35-22)31-14-12-18(13-15-31)32-20-10-6-5-9-19(20)27-25(32)34/h4-11,16,18,23H,12-15H2,1-3H3,(H,27,34).
What are the key properties of 3-[1-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 471.57 g/mol, XLogP of 4.24, 4 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-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 154929711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).