1-(6-methoxy-3-pyridinyl)-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one

C22H27N5O2 — CID 11639779

IUPAC1-(6-methoxy-3-pyridinyl)-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one
SMILESCOc1ccc(-n2ccn(CCc3ccccc3N3CCN(C)CC3)c2=O)cn1
InChIInChI=1S/C22H27N5O2/c1-24-11-13-25(14-12-24)20-6-4-3-5-18(20)9-10-26-15-16-27(22(26)28)19-7-8-21(29-2)23-17-19/h3-8,15-17H,9-14H2,1-2H3
InChIKeyNESHNWOMURTJLX-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.04
Rot. Bonds6

About 1-(6-methoxy-3-pyridinyl)-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one

1-(6-methoxy-3-pyridinyl)-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one (PubChem CID 11639779) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one
PubChem CID11639779
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name1-(6-methoxy-3-pyridinyl)-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one
SMILESCOc1ccc(-n2ccn(CCc3ccccc3N3CCN(C)CC3)c2=O)cn1
InChIInChI=1S/C22H27N5O2/c1-24-11-13-25(14-12-24)20-6-4-3-5-18(20)9-10-26-15-16-27(22(26)28)19-7-8-21(29-2)23-17-19/h3-8,15-17H,9-14H2,1-2H3
InChIKeyNESHNWOMURTJLX-UHFFFAOYSA-N
XLogP2.04
TPSA55.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(6-methoxy-3-pyridinyl)-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one with MolForge

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Related Compounds

1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one
CID 11531880
1-[6-(2-methoxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one
CID 11546600
1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]propan-2-yl]imidazol-2-one
CID 11590186
1-(3,4-dihydro-1H-isochromen-6-yl)-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one
CID 11589818
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one
CID 11597470
1-methyl-4-(2-propylphenyl)piperazine
CID 21034052
3-[4-(1-methoxycyclobutyl)phenyl]-4-methyl-1-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one
CID 11561682
1-(6-methoxy-3-pyridinyl)piperidin-4-one
CID 22000279
1-[4-[2-[[(6-methoxy-3-pyridinyl)amino]methyl]phenyl]piperazin-1-yl]ethanone
CID 71912556
3-[2-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 28807045
2-methoxy-5-pyrrol-1-ylpyridine
CID 4763719
1-benzyl-4-(6-methoxy-3-pyridinyl)piperazine
CID 138460517

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one (CID 11639779) is 1-(6-methoxy-3-pyridinyl)-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one is COc1ccc(-n2ccn(CCc3ccccc3N3CCN(C)CC3)c2=O)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one?
The InChIKey is NESHNWOMURTJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-24-11-13-25(14-12-24)20-6-4-3-5-18(20)9-10-26-15-16-27(22(26)28)19-7-8-21(29-2)23-17-19/h3-8,15-17H,9-14H2,1-2H3.
What are the key properties of 1-(6-methoxy-3-pyridinyl)-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one?
1-(6-methoxy-3-pyridinyl)-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one has a molecular weight of 393.49 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one is sourced from PubChem (CID 11639779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).