3-[1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one

C17H20N6O2 — CID 137208112

IUPAC3-[1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=C(CCc1nc2ccccc2[nH]1)N1CCCCC1c1n[nH]c(=O)[nH]1
InChIInChI=1S/C17H20N6O2/c24-15(9-8-14-18-11-5-1-2-6-12(11)19-14)23-10-4-3-7-13(23)16-20-17(25)22-21-16/h1-2,5-6,13H,3-4,7-10H2,(H,18,19)(H2,20,21,22,25)
InChIKeyDQGRTEOUGSYOJQ-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.66
Rot. Bonds4

About 3-[1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one

3-[1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137208112) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-[1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137208112
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name3-[1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=C(CCc1nc2ccccc2[nH]1)N1CCCCC1c1n[nH]c(=O)[nH]1
InChIInChI=1S/C17H20N6O2/c24-15(9-8-14-18-11-5-1-2-6-12(11)19-14)23-10-4-3-7-13(23)16-20-17(25)22-21-16/h1-2,5-6,13H,3-4,7-10H2,(H,18,19)(H2,20,21,22,25)
InChIKeyDQGRTEOUGSYOJQ-UHFFFAOYSA-N
XLogP1.66
TPSA110.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 99956598
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CID 99956601
3-(1H-benzimidazol-2-yl)-1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one
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CID 25356275
3-[1-(2,3-dihydro-1H-indene-2-carbonyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
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1-[3-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 110244580
4-(1H-benzimidazol-2-yl)-1-[2-(3-bromophenyl)pyrrolidin-1-yl]butan-1-one
CID 75404741
(3aR,7aR)-2-[3-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
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1-[3-(1H-benzimidazol-2-yl)propanoyl]-2-methylpiperidine-4-carboxylic acid
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1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one (CID 137208112) is 3-[1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one is O=C(CCc1nc2ccccc2[nH]1)N1CCCCC1c1n[nH]c(=O)[nH]1.
What is the InChIKey of 3-[1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is DQGRTEOUGSYOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c24-15(9-8-14-18-11-5-1-2-6-12(11)19-14)23-10-4-3-7-13(23)16-20-17(25)22-21-16/h1-2,5-6,13H,3-4,7-10H2,(H,18,19)(H2,20,21,22,25).
What are the key properties of 3-[1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 340.39 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137208112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).