[3-(1-methylimidazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone

C19H23N7O — CID 119059176

IUPAC[3-(1-methylimidazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCn1ccnc1-c1cccc(C(=O)N2CCN(CCn3cncn3)CC2)c1
InChIInChI=1S/C19H23N7O/c1-23-6-5-21-18(23)16-3-2-4-17(13-16)19(27)25-10-7-24(8-11-25)9-12-26-15-20-14-22-26/h2-6,13-15H,7-12H2,1H3
InChIKeyQEITVGPDPLOIOA-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.14
Rot. Bonds5

About [3-(1-methylimidazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone

[3-(1-methylimidazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 119059176) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is [3-(1-methylimidazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(1-methylimidazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
PubChem CID119059176
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name[3-(1-methylimidazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCn1ccnc1-c1cccc(C(=O)N2CCN(CCn3cncn3)CC2)c1
InChIInChI=1S/C19H23N7O/c1-23-6-5-21-18(23)16-3-2-4-17(13-16)19(27)25-10-7-24(8-11-25)9-12-26-15-20-14-22-26/h2-6,13-15H,7-12H2,1H3
InChIKeyQEITVGPDPLOIOA-UHFFFAOYSA-N
XLogP1.14
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(1,3-thiazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 118771311
(3-fluorophenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560617
[3-(1-ethylpyrazol-4-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 118764619
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 70743445
[4-(3-hydroxy-3-methylbutyl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 56910698
[3-(furan-2-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 77089548
(5-methoxy-2-methyl-4-pyridinyl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 146039788
3-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]benzonitrile
CID 90560720
2-(benzotriazol-2-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 70724671
[3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 77096390
(3-bromophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 90533249
(3-chlorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 71788574

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylimidazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of [3-(1-methylimidazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone (CID 119059176) is [3-(1-methylimidazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for [3-(1-methylimidazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for [3-(1-methylimidazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone is Cn1ccnc1-c1cccc(C(=O)N2CCN(CCn3cncn3)CC2)c1.
What is the InChIKey of [3-(1-methylimidazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is QEITVGPDPLOIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-23-6-5-21-18(23)16-3-2-4-17(13-16)19(27)25-10-7-24(8-11-25)9-12-26-15-20-14-22-26/h2-6,13-15H,7-12H2,1H3.
What are the key properties of [3-(1-methylimidazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
[3-(1-methylimidazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 365.44 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylimidazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 119059176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).