[1-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol

C18H29N5O — CID 56867113

IUPAC[1-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol
SMILESCCCCc1ncc(-c2nccn2CCN2CCCCC2CO)[nH]1
InChIInChI=1S/C18H29N5O/c1-2-3-7-17-20-13-16(21-17)18-19-8-10-23(18)12-11-22-9-5-4-6-15(22)14-24/h8,10,13,15,24H,2-7,9,11-12,14H2,1H3,(H,20,21)
InChIKeyVWQPIZHOJQPOPB-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.46
Rot. Bonds8

About [1-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol

[1-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol (PubChem CID 56867113) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is [1-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol
PubChem CID56867113
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name[1-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol
SMILESCCCCc1ncc(-c2nccn2CCN2CCCCC2CO)[nH]1
InChIInChI=1S/C18H29N5O/c1-2-3-7-17-20-13-16(21-17)18-19-8-10-23(18)12-11-22-9-5-4-6-15(22)14-24/h8,10,13,15,24H,2-7,9,11-12,14H2,1H3,(H,20,21)
InChIKeyVWQPIZHOJQPOPB-UHFFFAOYSA-N
XLogP2.46
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol 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 [1-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol (CID 56867113) is [1-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol is CCCCc1ncc(-c2nccn2CCN2CCCCC2CO)[nH]1.
What is the InChIKey of [1-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol?
The InChIKey is VWQPIZHOJQPOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-2-3-7-17-20-13-16(21-17)18-19-8-10-23(18)12-11-22-9-5-4-6-15(22)14-24/h8,10,13,15,24H,2-7,9,11-12,14H2,1H3,(H,20,21).
What are the key properties of [1-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol?
[1-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol has a molecular weight of 331.46 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 56867113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).