[5-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol

C18H30N6O — CID 50965470

IUPAC[5-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCCCCc1ncc(CN2CCC(Cc3nnc(CO)n3C)CC2)[nH]1
InChIInChI=1S/C18H30N6O/c1-3-4-5-16-19-11-15(20-16)12-24-8-6-14(7-9-24)10-17-21-22-18(13-25)23(17)2/h11,14,25H,3-10,12-13H2,1-2H3,(H,19,20)
InChIKeyWRUPCJNICAUMOR-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.83
Rot. Bonds8

About [5-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol

[5-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol (PubChem CID 50965470) has the molecular formula C18H30N6O and a molecular weight of 346.48 g/mol. Its IUPAC name is [5-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
PubChem CID50965470
Molecular FormulaC18H30N6O
Molecular Weight346.48 g/mol
Exact Mass346.25
IUPAC Name[5-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCCCCc1ncc(CN2CCC(Cc3nnc(CO)n3C)CC2)[nH]1
InChIInChI=1S/C18H30N6O/c1-3-4-5-16-19-11-15(20-16)12-24-8-6-14(7-9-24)10-17-21-22-18(13-25)23(17)2/h11,14,25H,3-10,12-13H2,1-2H3,(H,19,20)
InChIKeyWRUPCJNICAUMOR-UHFFFAOYSA-N
XLogP1.83
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol (CID 50965470) is [5-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol is CCCCc1ncc(CN2CCC(Cc3nnc(CO)n3C)CC2)[nH]1.
What is the InChIKey of [5-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is WRUPCJNICAUMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O/c1-3-4-5-16-19-11-15(20-16)12-24-8-6-14(7-9-24)10-17-21-22-18(13-25)23(17)2/h11,14,25H,3-10,12-13H2,1-2H3,(H,19,20).
What are the key properties of [5-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol?
[5-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 346.48 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 50965470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).