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

C24H29N7O — CID 51360397

IUPAC3-[1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC(C)(C)n1nnnc1C(c1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C24H29N7O/c1-24(2,3)31-22(26-27-28-31)21(17-9-5-4-6-10-17)29-15-13-18(14-16-29)30-20-12-8-7-11-19(20)25-23(30)32/h4-12,18,21H,13-16H2,1-3H3,(H,25,32)
InChIKeyGAWCIIFGUYQMEF-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.50
Rot. Bonds4

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

3-[1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 51360397) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 3-[1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID51360397
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name3-[1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC(C)(C)n1nnnc1C(c1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C24H29N7O/c1-24(2,3)31-22(26-27-28-31)21(17-9-5-4-6-10-17)29-15-13-18(14-16-29)30-20-12-8-7-11-19(20)25-23(30)32/h4-12,18,21H,13-16H2,1-3H3,(H,25,32)
InChIKeyGAWCIIFGUYQMEF-UHFFFAOYSA-N
XLogP3.50
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

1,3-diethyl-5-[1-(4-fluoro-3-methylphenyl)-1H-1,2,3,4-tetrazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647073
1-[8-(1-tert-Butyl-1H-tetrazol-5-ylmethyl)-8-aza-bicyclo[3.2.1]oct-3-yl]-3-phenyl-urea
CID 648721
1-{1-[1-(4-Fluoro-benzyl)-1H-tetrazol-5-ylmethyl]-piperidin-4-yl}-3-(2-fluoro-phenyl)-urea
CID 651222
3-[1-[1-(1-benzyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360348
3-[1-[1-(1-benzyltetrazol-5-yl)-3-methylsulfanylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360352
3-[1-[(1-cyclohexyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360358
3-[1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360376
3-[1-[1-(1-tert-butyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360393
3-[1-[(1-benzyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360353
US10172843, Example 65
CID 121379942
3-[1-[1-(1-butyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360383
8-(1-(1-cyclopentyl-1H-tetrazol-5-yl)-3-phenylpropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 51360083

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 51360397) is 3-[1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one is CC(C)(C)n1nnnc1C(c1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is GAWCIIFGUYQMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-24(2,3)31-22(26-27-28-31)21(17-9-5-4-6-10-17)29-15-13-18(14-16-29)30-20-12-8-7-11-19(20)25-23(30)32/h4-12,18,21H,13-16H2,1-3H3,(H,25,32).
What are the key properties of 3-[1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 431.54 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 51360397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).