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

C27H27N7O2 — CID 51360341

IUPAC3-[1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCOc1ccc(-n2nnnc2C(c2ccccc2)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1
InChIInChI=1S/C27H27N7O2/c1-36-22-13-11-21(12-14-22)34-26(29-30-31-34)25(19-7-3-2-4-8-19)32-17-15-20(16-18-32)33-24-10-6-5-9-23(24)28-27(33)35/h2-14,20,25H,15-18H2,1H3,(H,28,35)
InChIKeyPUKMXKCRIWGTQZ-UHFFFAOYSA-N
MW481.56 g/mol
LogP3.74
Rot. Bonds6

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

3-[1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 51360341) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is 3-[1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID51360341
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC Name3-[1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCOc1ccc(-n2nnnc2C(c2ccccc2)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1
InChIInChI=1S/C27H27N7O2/c1-36-22-13-11-21(12-14-22)34-26(29-30-31-34)25(19-7-3-2-4-8-19)32-17-15-20(16-18-32)33-24-10-6-5-9-23(24)28-27(33)35/h2-14,20,25H,15-18H2,1H3,(H,28,35)
InChIKeyPUKMXKCRIWGTQZ-UHFFFAOYSA-N
XLogP3.74
TPSA93.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-{[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-phenyl-methyl}-4-(4-methoxy-phenyl)-piperazine
CID 648069
3-{(2,3-Dihydro-indol-1-yl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-6-methoxy-1H-quinolin-2-one
CID 649332
3-[1-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360311
3-[1-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360314
3-[1-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360315
3-[1-[(1-benzyltetrazol-5-yl)-[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360350
3-[1-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360310
3-[1-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-tetrazolyl]-[2-(trifluoromethoxy)phenyl]methyl]-4-piperidinyl]-1H-benzimidazol-2-one
CID 51360317
3-[1-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-naphthalen-1-ylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360318
3-[1-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360320
3-[1-[(2,3-dimethoxyphenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360322
3-[1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360325

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 51360341) is 3-[1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one is COc1ccc(-n2nnnc2C(c2ccccc2)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1.
What is the InChIKey of 3-[1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is PUKMXKCRIWGTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2/c1-36-22-13-11-21(12-14-22)34-26(29-30-31-34)25(19-7-3-2-4-8-19)32-17-15-20(16-18-32)33-24-10-6-5-9-23(24)28-27(33)35/h2-14,20,25H,15-18H2,1H3,(H,28,35).
What are the key properties of 3-[1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 481.56 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 51360341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).