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

C24H29N7OS — CID 51360361

IUPAC3-[1-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C(c2cccs2)c2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C24H29N7OS/c32-24-25-19-9-4-5-10-20(19)30(24)17-12-14-29(15-13-17)22(21-11-6-16-33-21)23-26-27-28-31(23)18-7-2-1-3-8-18/h4-6,9-11,16-18,22H,1-3,7-8,12-15H2,(H,25,32)
InChIKeyLDWGMXUDPWUWKX-UHFFFAOYSA-N
MW463.61 g/mol
LogP4.31
Rot. Bonds5

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

3-[1-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 51360361) has the molecular formula C24H29N7OS and a molecular weight of 463.61 g/mol. Its IUPAC name is 3-[1-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID51360361
Molecular FormulaC24H29N7OS
Molecular Weight463.61 g/mol
Exact Mass463.22
IUPAC Name3-[1-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C(c2cccs2)c2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C24H29N7OS/c32-24-25-19-9-4-5-10-20(19)30(24)17-12-14-29(15-13-17)22(21-11-6-16-33-21)23-26-27-28-31(23)18-7-2-1-3-8-18/h4-6,9-11,16-18,22H,1-3,7-8,12-15H2,(H,25,32)
InChIKeyLDWGMXUDPWUWKX-UHFFFAOYSA-N
XLogP4.31
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.61
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[1-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]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

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 51360361) is 3-[1-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(C(c2cccs2)c2nnnn2C2CCCCC2)CC1.
What is the InChIKey of 3-[1-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is LDWGMXUDPWUWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7OS/c32-24-25-19-9-4-5-10-20(19)30(24)17-12-14-29(15-13-17)22(21-11-6-16-33-21)23-26-27-28-31(23)18-7-2-1-3-8-18/h4-6,9-11,16-18,22H,1-3,7-8,12-15H2,(H,25,32).
What are the key properties of 3-[1-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 463.61 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 51360361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).