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

C28H31N7O2 — CID 51360354

IUPAC3-[1-[1-benzofuran-2-yl-(1-cyclohexyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C(c2cc3ccccc3o2)c2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C28H31N7O2/c36-28-29-22-11-5-6-12-23(22)34(28)20-14-16-33(17-15-20)26(25-18-19-8-4-7-13-24(19)37-25)27-30-31-32-35(27)21-9-2-1-3-10-21/h4-8,11-13,18,20-21,26H,1-3,9-10,14-17H2,(H,29,36)
InChIKeyYXPAYTDOCIPYQL-UHFFFAOYSA-N
MW497.60 g/mol
LogP4.99
Rot. Bonds5

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

3-[1-[1-benzofuran-2-yl-(1-cyclohexyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 51360354) has the molecular formula C28H31N7O2 and a molecular weight of 497.60 g/mol. Its IUPAC name is 3-[1-[1-benzofuran-2-yl-(1-cyclohexyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[1-benzofuran-2-yl-(1-cyclohexyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID51360354
Molecular FormulaC28H31N7O2
Molecular Weight497.60 g/mol
Exact Mass497.25
IUPAC Name3-[1-[1-benzofuran-2-yl-(1-cyclohexyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C(c2cc3ccccc3o2)c2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C28H31N7O2/c36-28-29-22-11-5-6-12-23(22)34(28)20-14-16-33(17-15-20)26(25-18-19-8-4-7-13-24(19)37-25)27-30-31-32-35(27)21-9-2-1-3-10-21/h4-8,11-13,18,20-21,26H,1-3,9-10,14-17H2,(H,29,36)
InChIKeyYXPAYTDOCIPYQL-UHFFFAOYSA-N
XLogP4.99
TPSA97.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[1-[1-benzofuran-2-yl-(1-cyclohexyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

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Related Compounds

3-[1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360377
8-[1-Benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 51360829
1-[1-Benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]-4-(2,6-dimethylphenyl)piperazine
CID 53300929
1-[1-Benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]-4-(2,6-dimethylphenyl)piperazine
CID 53301028
2-[4-[1-benzofuran-2-yl-(1-tert-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 53301022
4-{3-[8-(1-Furan-2-ylmethyl-1H-tetrazol-5-ylmethyl)-8-aza-bicyclo[3.2.1]oct-3-yl]-ureido}-benzoic acid ethyl ester
CID 3220719
3-[1-[1-benzofuran-2-yl-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360309
3-[1-[1-benzofuran-2-yl-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360321
3-[1-[1-benzofuran-2-yl-[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360330
3-[1-[1-benzofuran-2-yl-(1-benzyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360342
3-[1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360365
1-[1-benzofuran-2-yl-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 51360403

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-benzofuran-2-yl-(1-cyclohexyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[1-benzofuran-2-yl-(1-cyclohexyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 51360354) is 3-[1-[1-benzofuran-2-yl-(1-cyclohexyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[1-benzofuran-2-yl-(1-cyclohexyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[1-benzofuran-2-yl-(1-cyclohexyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(C(c2cc3ccccc3o2)c2nnnn2C2CCCCC2)CC1.
What is the InChIKey of 3-[1-[1-benzofuran-2-yl-(1-cyclohexyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is YXPAYTDOCIPYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O2/c36-28-29-22-11-5-6-12-23(22)34(28)20-14-16-33(17-15-20)26(25-18-19-8-4-7-13-24(19)37-25)27-30-31-32-35(27)21-9-2-1-3-10-21/h4-8,11-13,18,20-21,26H,1-3,9-10,14-17H2,(H,29,36).
What are the key properties of 3-[1-[1-benzofuran-2-yl-(1-cyclohexyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[1-benzofuran-2-yl-(1-cyclohexyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 497.60 g/mol, XLogP of 4.99, 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-cyclohexyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 51360354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).