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

C26H29N7O2 — CID 51360377

IUPAC3-[1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCCCn1nnnc1C(c1cc2ccccc2o1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C26H29N7O2/c1-2-3-14-32-25(28-29-30-32)24(23-17-18-8-4-7-11-22(18)35-23)31-15-12-19(13-16-31)33-21-10-6-5-9-20(21)27-26(33)34/h4-11,17,19,24H,2-3,12-16H2,1H3,(H,27,34)
InChIKeyDLJFBZLIUCVRJF-UHFFFAOYSA-N
MW471.57 g/mol
LogP4.29
Rot. Bonds7

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

3-[1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 51360377) 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-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID51360377
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC Name3-[1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCCCn1nnnc1C(c1cc2ccccc2o1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C26H29N7O2/c1-2-3-14-32-25(28-29-30-32)24(23-17-18-8-4-7-11-22(18)35-23)31-15-12-19(13-16-31)33-21-10-6-5-9-20(21)27-26(33)34/h4-11,17,19,24H,2-3,12-16H2,1H3,(H,27,34)
InChIKeyDLJFBZLIUCVRJF-UHFFFAOYSA-N
XLogP4.29
TPSA97.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

1-[[1-(Furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 652718
1-[1-benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 51360442
8-[1-Benzofuran-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 51360829
Tert-butyl 4-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperazine-1-carboxylate
CID 53300924
Ethyl 4-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperazine-1-carboxylate
CID 53300914
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
3-{[[1-(1-Furan-2-ylmethyl-1H-tetrazol-5-yl)-propyl]-(2-methoxy-benzyl)-amino]-methyl}-6-methyl-1H-quinolin-2-one
CID 654377
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
(Z)-N-[1-(1-benzofuran-2-yl)ethyl]-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)prop-2-enamide
CID 42936787
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

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 51360377) is 3-[1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one is CCCCn1nnnc1C(c1cc2ccccc2o1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is DLJFBZLIUCVRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-2-3-14-32-25(28-29-30-32)24(23-17-18-8-4-7-11-22(18)35-23)31-15-12-19(13-16-31)33-21-10-6-5-9-20(21)27-26(33)34/h4-11,17,19,24H,2-3,12-16H2,1H3,(H,27,34).
What are the key properties of 3-[1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 471.57 g/mol, XLogP of 4.29, 7 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-butyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 51360377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).