[4-(imidazol-1-ylmethyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone

C18H20N6O — CID 121165004

IUPAC[4-(imidazol-1-ylmethyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cn2ccnc2)cc1)N1CCC(n2nccn2)CC1
InChIInChI=1S/C18H20N6O/c25-18(23-10-5-17(6-11-23)24-20-7-8-21-24)16-3-1-15(2-4-16)13-22-12-9-19-14-22/h1-4,7-9,12,14,17H,5-6,10-11,13H2
InChIKeyLPKOKEMUEQMUSH-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.00
Rot. Bonds4

About [4-(imidazol-1-ylmethyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone

[4-(imidazol-1-ylmethyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone (PubChem CID 121165004) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is [4-(imidazol-1-ylmethyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(imidazol-1-ylmethyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
PubChem CID121165004
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name[4-(imidazol-1-ylmethyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cn2ccnc2)cc1)N1CCC(n2nccn2)CC1
InChIInChI=1S/C18H20N6O/c25-18(23-10-5-17(6-11-23)24-20-7-8-21-24)16-3-1-15(2-4-16)13-22-12-9-19-14-22/h1-4,7-9,12,14,17H,5-6,10-11,13H2
InChIKeyLPKOKEMUEQMUSH-UHFFFAOYSA-N
XLogP2.00
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[4-(imidazol-1-ylmethyl)benzoyl]piperidine-4-carboxylate
CID 43923306
(4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 43924627
[4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 94022564
[3-(hydroxymethyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 121105751
1-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121154036
[4-(imidazol-1-ylmethyl)phenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 163346774
phenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164762
2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55719379
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 37423671
(2R)-1-[4-(imidazol-1-ylmethyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119371177
2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55719266
[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-[(1S,2S)-2-phenylcyclopropyl]methanone
CID 51897007

Frequently Asked Questions

What is the IUPAC name of [4-(imidazol-1-ylmethyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [4-(imidazol-1-ylmethyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone (CID 121165004) is [4-(imidazol-1-ylmethyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(imidazol-1-ylmethyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(imidazol-1-ylmethyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone is O=C(c1ccc(Cn2ccnc2)cc1)N1CCC(n2nccn2)CC1.
What is the InChIKey of [4-(imidazol-1-ylmethyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is LPKOKEMUEQMUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c25-18(23-10-5-17(6-11-23)24-20-7-8-21-24)16-3-1-15(2-4-16)13-22-12-9-19-14-22/h1-4,7-9,12,14,17H,5-6,10-11,13H2.
What are the key properties of [4-(imidazol-1-ylmethyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone?
[4-(imidazol-1-ylmethyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 336.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(imidazol-1-ylmethyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 121165004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).