[3-(furan-2-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

C20H22N4O2 — CID 77089548

IUPAC[3-(furan-2-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
SMILESCn1ccnc1CN1CCN(C(=O)c2cccc(-c3ccco3)c2)CC1
InChIInChI=1S/C20H22N4O2/c1-22-8-7-21-19(22)15-23-9-11-24(12-10-23)20(25)17-5-2-4-16(14-17)18-6-3-13-26-18/h2-8,13-14H,9-12,15H2,1H3
InChIKeyMBWMACVSUOSYKL-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.64
Rot. Bonds4

About [3-(furan-2-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

[3-(furan-2-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone (PubChem CID 77089548) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is [3-(furan-2-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(furan-2-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
PubChem CID77089548
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name[3-(furan-2-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
SMILESCn1ccnc1CN1CCN(C(=O)c2cccc(-c3ccco3)c2)CC1
InChIInChI=1S/C20H22N4O2/c1-22-8-7-21-19(22)15-23-9-11-24(12-10-23)20(25)17-5-2-4-16(14-17)18-6-3-13-26-18/h2-8,13-14H,9-12,15H2,1H3
InChIKeyMBWMACVSUOSYKL-UHFFFAOYSA-N
XLogP2.64
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1-ethylpyrazol-4-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 118764619
(4-tert-butylphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 121450338
[3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 168524923
[3-(furan-2-yl)phenyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70755983
[(1S,2S)-2-(furan-2-yl)cyclopropyl]-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 95601956
[9-[(1-methylimidazol-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyridin-3-ylmethanone
CID 97450387
1-[(1-ethylimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide
CID 45177020
[2-(furan-2-yl)-4-pyridinyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 166256369
[3-(1-methylimidazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 119059176
[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-(3-phenylphenyl)methanone
CID 110646405
[4-(furan-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 90649735
3H-benzimidazol-5-yl-[4-[2-(1-methylimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]methanone
CID 137340057

Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [3-(furan-2-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone (CID 77089548) is [3-(furan-2-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [3-(furan-2-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [3-(furan-2-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone is Cn1ccnc1CN1CCN(C(=O)c2cccc(-c3ccco3)c2)CC1.
What is the InChIKey of [3-(furan-2-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is MBWMACVSUOSYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-22-8-7-21-19(22)15-23-9-11-24(12-10-23)20(25)17-5-2-4-16(14-17)18-6-3-13-26-18/h2-8,13-14H,9-12,15H2,1H3.
What are the key properties of [3-(furan-2-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone?
[3-(furan-2-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 350.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 77089548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).