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

C24H31N5O2 — CID 11531880

IUPAC1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one
SMILESCN1CCN(c2ccccc2CCn2ccn(-c3ccc(C(C)(C)O)nc3)c2=O)CC1
InChIInChI=1S/C24H31N5O2/c1-24(2,31)22-9-8-20(18-25-22)29-17-16-28(23(29)30)11-10-19-6-4-5-7-21(19)27-14-12-26(3)13-15-27/h4-9,16-18,31H,10-15H2,1-3H3
InChIKeyWBSXSKZZMDNDFQ-UHFFFAOYSA-N
MW421.55 g/mol
LogP2.26
Rot. Bonds6

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

1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one (PubChem CID 11531880) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one.

Molecular Properties

Compound Name1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one
PubChem CID11531880
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one
SMILESCN1CCN(c2ccccc2CCn2ccn(-c3ccc(C(C)(C)O)nc3)c2=O)CC1
InChIInChI=1S/C24H31N5O2/c1-24(2,31)22-9-8-20(18-25-22)29-17-16-28(23(29)30)11-10-19-6-4-5-7-21(19)27-14-12-26(3)13-15-27/h4-9,16-18,31H,10-15H2,1-3H3
InChIKeyWBSXSKZZMDNDFQ-UHFFFAOYSA-N
XLogP2.26
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(6-methoxy-3-pyridinyl)-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one
CID 11639779
1-[6-(2-methoxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one
CID 11546600
3-[5-[3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrol-1-yl]-2-pyridinyl]pentan-3-ol
CID 69499822
(3S)-1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[[2-(4-(111C)methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one
CID 59782576
(3R)-1-[6-[(2S)-2,3-dihydroxypentan-3-yl]-3-pyridinyl]-3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-one
CID 71090874
1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]methyl]piperidin-2-one
CID 11597590
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-[2-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 28807045
3-[4-(1-methoxycyclobutyl)phenyl]-4-methyl-1-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one
CID 11561682

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one?
The IUPAC name of 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one (CID 11531880) is 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one.
What is the SMILES notation for 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one?
The canonical SMILES for 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one is CN1CCN(c2ccccc2CCn2ccn(-c3ccc(C(C)(C)O)nc3)c2=O)CC1.
What is the InChIKey of 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one?
The InChIKey is WBSXSKZZMDNDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-24(2,31)22-9-8-20(18-25-22)29-17-16-28(23(29)30)11-10-19-6-4-5-7-21(19)27-14-12-26(3)13-15-27/h4-9,16-18,31H,10-15H2,1-3H3.
What are the key properties of 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one?
1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one has a molecular weight of 421.55 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazol-2-one is sourced from PubChem (CID 11531880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).