4-(imidazol-1-ylmethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-ol

C20H25N5O2 — CID 74242460

IUPAC4-(imidazol-1-ylmethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-ol
SMILESCOc1ccc(-n2ccnc2CN2CCC(O)(Cn3ccnc3)CC2)cc1
InChIInChI=1S/C20H25N5O2/c1-27-18-4-2-17(3-5-18)25-13-9-22-19(25)14-23-10-6-20(26,7-11-23)15-24-12-8-21-16-24/h2-5,8-9,12-13,16,26H,6-7,10-11,14-15H2,1H3
InChIKeySMNKTKDPUKVTIU-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.10
Rot. Bonds6

About 4-(imidazol-1-ylmethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-ol

4-(imidazol-1-ylmethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-ol (PubChem CID 74242460) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-ol
PubChem CID74242460
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name4-(imidazol-1-ylmethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-ol
SMILESCOc1ccc(-n2ccnc2CN2CCC(O)(Cn3ccnc3)CC2)cc1
InChIInChI=1S/C20H25N5O2/c1-27-18-4-2-17(3-5-18)25-13-9-22-19(25)14-23-10-6-20(26,7-11-23)15-24-12-8-21-16-24/h2-5,8-9,12-13,16,26H,6-7,10-11,14-15H2,1H3
InChIKeySMNKTKDPUKVTIU-UHFFFAOYSA-N
XLogP2.10
TPSA68.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(imidazol-1-ylmethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-ol 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 4-(imidazol-1-ylmethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-(imidazol-1-ylmethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-ol (CID 74242460) is 4-(imidazol-1-ylmethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-ol is COc1ccc(-n2ccnc2CN2CCC(O)(Cn3ccnc3)CC2)cc1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-ol?
The InChIKey is SMNKTKDPUKVTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-27-18-4-2-17(3-5-18)25-13-9-22-19(25)14-23-10-6-20(26,7-11-23)15-24-12-8-21-16-24/h2-5,8-9,12-13,16,26H,6-7,10-11,14-15H2,1H3.
What are the key properties of 4-(imidazol-1-ylmethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-ol?
4-(imidazol-1-ylmethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-ol has a molecular weight of 367.45 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 74242460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).