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

C26H31N7O — CID 51360364

IUPAC3-[1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C(c2ccccc2)c2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C26H31N7O/c34-26-27-22-13-7-8-14-23(22)32(26)20-15-17-31(18-16-20)24(19-9-3-1-4-10-19)25-28-29-30-33(25)21-11-5-2-6-12-21/h1,3-4,7-10,13-14,20-21,24H,2,5-6,11-12,15-18H2,(H,27,34)
InChIKeySLNVDAOZJYFFDM-UHFFFAOYSA-N
MW457.58 g/mol
LogP4.25
Rot. Bonds5

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

3-[1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 51360364) has the molecular formula C26H31N7O and a molecular weight of 457.58 g/mol. Its IUPAC name is 3-[1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID51360364
Molecular FormulaC26H31N7O
Molecular Weight457.58 g/mol
Exact Mass457.26
IUPAC Name3-[1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C(c2ccccc2)c2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C26H31N7O/c34-26-27-22-13-7-8-14-23(22)32(26)20-15-17-31(18-16-20)24(19-9-3-1-4-10-19)25-28-29-30-33(25)21-11-5-2-6-12-21/h1,3-4,7-10,13-14,20-21,24H,2,5-6,11-12,15-18H2,(H,27,34)
InChIKeySLNVDAOZJYFFDM-UHFFFAOYSA-N
XLogP4.25
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-[(1-cyclohexyltetrazol-5-yl)-[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360362
1-[(R)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 858112
1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 3201581
3-[1-[(R)-[1-[(1S)-1-phenylethyl]tetrazol-5-yl]-thiophen-3-ylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 163569753
1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide
CID 3208573
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine
CID 858129
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443350
1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine
CID 3173834
2-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline
CID 1433537
3-[(S)-(4-benzhydrylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 92764320
3-[(S)-(4-benzhydrylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]-6-ethyl-1H-quinolin-2-one
CID 92763961
4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]phenol
CID 861193

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 51360364) is 3-[1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(C(c2ccccc2)c2nnnn2C2CCCCC2)CC1.
What is the InChIKey of 3-[1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is SLNVDAOZJYFFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O/c34-26-27-22-13-7-8-14-23(22)32(26)20-15-17-31(18-16-20)24(19-9-3-1-4-10-19)25-28-29-30-33(25)21-11-5-2-6-12-21/h1,3-4,7-10,13-14,20-21,24H,2,5-6,11-12,15-18H2,(H,27,34).
What are the key properties of 3-[1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 457.58 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 51360364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).