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

C20H26N6O — CID 56719785

IUPAC2-methyl-5-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,2,4-triazol-3-one
SMILESCc1cnc(CN2CCC(Cc3nn(C)c(=O)n3-c3ccccc3)CC2)[nH]1
InChIInChI=1S/C20H26N6O/c1-15-13-21-18(22-15)14-25-10-8-16(9-11-25)12-19-23-24(2)20(27)26(19)17-6-4-3-5-7-17/h3-7,13,16H,8-12,14H2,1-2H3,(H,21,22)
InChIKeyRPMHHBYDOJRBNC-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.06
Rot. Bonds5

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

2-methyl-5-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,2,4-triazol-3-one (PubChem CID 56719785) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-methyl-5-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-methyl-5-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,2,4-triazol-3-one
PubChem CID56719785
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name2-methyl-5-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,2,4-triazol-3-one
SMILESCc1cnc(CN2CCC(Cc3nn(C)c(=O)n3-c3ccccc3)CC2)[nH]1
InChIInChI=1S/C20H26N6O/c1-15-13-21-18(22-15)14-25-10-8-16(9-11-25)12-19-23-24(2)20(27)26(19)17-6-4-3-5-7-17/h3-7,13,16H,8-12,14H2,1-2H3,(H,21,22)
InChIKeyRPMHHBYDOJRBNC-UHFFFAOYSA-N
XLogP2.06
TPSA71.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,2,4-triazol-3-one?
The IUPAC name of 2-methyl-5-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,2,4-triazol-3-one (CID 56719785) is 2-methyl-5-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-methyl-5-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,2,4-triazol-3-one?
The canonical SMILES for 2-methyl-5-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,2,4-triazol-3-one is Cc1cnc(CN2CCC(Cc3nn(C)c(=O)n3-c3ccccc3)CC2)[nH]1.
What is the InChIKey of 2-methyl-5-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,2,4-triazol-3-one?
The InChIKey is RPMHHBYDOJRBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-15-13-21-18(22-15)14-25-10-8-16(9-11-25)12-19-23-24(2)20(27)26(19)17-6-4-3-5-7-17/h3-7,13,16H,8-12,14H2,1-2H3,(H,21,22).
What are the key properties of 2-methyl-5-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,2,4-triazol-3-one?
2-methyl-5-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,2,4-triazol-3-one has a molecular weight of 366.47 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,2,4-triazol-3-one is sourced from PubChem (CID 56719785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).