5-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one

C19H24N6O — CID 90542901

IUPAC5-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one
SMILESCn1nc(C2CCN(Cc3nc4ccccc4[nH]3)CC2)n(C2CC2)c1=O
InChIInChI=1S/C19H24N6O/c1-23-19(26)25(14-6-7-14)18(22-23)13-8-10-24(11-9-13)12-17-20-15-4-2-3-5-16(15)21-17/h2-5,13-14H,6-12H2,1H3,(H,20,21)
InChIKeyDEOVMXTXVGMPLI-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.17
Rot. Bonds4

About 5-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one

5-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one (PubChem CID 90542901) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 5-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one
PubChem CID90542901
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name5-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one
SMILESCn1nc(C2CCN(Cc3nc4ccccc4[nH]3)CC2)n(C2CC2)c1=O
InChIInChI=1S/C19H24N6O/c1-23-19(26)25(14-6-7-14)18(22-23)13-8-10-24(11-9-13)12-17-20-15-4-2-3-5-16(15)21-17/h2-5,13-14H,6-12H2,1H3,(H,20,21)
InChIKeyDEOVMXTXVGMPLI-UHFFFAOYSA-N
XLogP2.17
TPSA71.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one with MolForge

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Related Compounds

5-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 71793770
2-[2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione
CID 90542997
(1S,5R)-3-(1H-benzimidazol-2-ylmethyl)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 135092248
2-[3-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]propyl]isoindole-1,3-dione
CID 90542998
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
4-[(3S)-1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-3-yl]benzoic acid
CID 95729737
3-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]methyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 56879689
3-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941192
2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane
CID 142062604
1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol
CID 104926835
2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole
CID 142265346
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1H-benzimidazole
CID 115314474

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 5-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one (CID 90542901) is 5-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 5-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one is Cn1nc(C2CCN(Cc3nc4ccccc4[nH]3)CC2)n(C2CC2)c1=O.
What is the InChIKey of 5-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one?
The InChIKey is DEOVMXTXVGMPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-23-19(26)25(14-6-7-14)18(22-23)13-8-10-24(11-9-13)12-17-20-15-4-2-3-5-16(15)21-17/h2-5,13-14H,6-12H2,1H3,(H,20,21).
What are the key properties of 5-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one?
5-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one has a molecular weight of 352.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 90542901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).