1-[2-chloro-4-[3-[2-(1,4-diazepan-1-yl)-4-pyridinyl]-2-hydroxyphenyl]phenyl]-3-methylimidazol-2-one

C26H26ClN5O2 — CID 171795961

IUPAC1-[2-chloro-4-[3-[2-(1,4-diazepan-1-yl)-4-pyridinyl]-2-hydroxyphenyl]phenyl]-3-methylimidazol-2-one
SMILESCn1ccn(-c2ccc(-c3cccc(-c4ccnc(N5CCCNCC5)c4)c3O)cc2Cl)c1=O
InChIInChI=1S/C26H26ClN5O2/c1-30-14-15-32(26(30)34)23-7-6-18(16-22(23)27)20-4-2-5-21(25(20)33)19-8-10-29-24(17-19)31-12-3-9-28-11-13-31/h2,4-8,10,14-17,28,33H,3,9,11-13H2,1H3
InChIKeyZBLMTELMYGROIY-UHFFFAOYSA-N
MW475.98 g/mol
LogP4.06
Rot. Bonds4

About 1-[2-chloro-4-[3-[2-(1,4-diazepan-1-yl)-4-pyridinyl]-2-hydroxyphenyl]phenyl]-3-methylimidazol-2-one

1-[2-chloro-4-[3-[2-(1,4-diazepan-1-yl)-4-pyridinyl]-2-hydroxyphenyl]phenyl]-3-methylimidazol-2-one (PubChem CID 171795961) has the molecular formula C26H26ClN5O2 and a molecular weight of 475.98 g/mol. Its IUPAC name is 1-[2-chloro-4-[3-[2-(1,4-diazepan-1-yl)-4-pyridinyl]-2-hydroxyphenyl]phenyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[2-chloro-4-[3-[2-(1,4-diazepan-1-yl)-4-pyridinyl]-2-hydroxyphenyl]phenyl]-3-methylimidazol-2-one
PubChem CID171795961
Molecular FormulaC26H26ClN5O2
Molecular Weight475.98 g/mol
Exact Mass475.18
IUPAC Name1-[2-chloro-4-[3-[2-(1,4-diazepan-1-yl)-4-pyridinyl]-2-hydroxyphenyl]phenyl]-3-methylimidazol-2-one
SMILESCn1ccn(-c2ccc(-c3cccc(-c4ccnc(N5CCCNCC5)c4)c3O)cc2Cl)c1=O
InChIInChI=1S/C26H26ClN5O2/c1-30-14-15-32(26(30)34)23-7-6-18(16-22(23)27)20-4-2-5-21(25(20)33)19-8-10-29-24(17-19)31-12-3-9-28-11-13-31/h2,4-8,10,14-17,28,33H,3,9,11-13H2,1H3
InChIKeyZBLMTELMYGROIY-UHFFFAOYSA-N
XLogP4.06
TPSA75.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[3-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-pyridinyl]-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one
CID 171795952
1-[4-[3-[3-chloro-4-(3-methyl-2-oxoimidazol-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-2-pyridinyl]piperazin-2-one
CID 166166034
1-[2-chloro-4-[5-fluoro-2-hydroxy-3-[2-[(3S)-3-(hydroxymethyl)piperazin-1-yl]-4-pyridinyl]phenyl]phenyl]-3-methylimidazol-2-one
CID 166165740
1-[2-chloro-4-[3-[2-(1,4-diazacyclohept-5-yn-1-yl)-4-pyridinyl]-5-fluoro-2-hydroxyphenyl]phenyl]-3-methylimidazol-2-one
CID 166166329
1-[2-chloro-4-[5-chloro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]pyrrolidin-2-one
CID 166165564
N-[4-[3-[3-chloro-4-(3-methyl-2-oxoimidazol-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-6-piperazin-1-yl-2-pyridinyl]acetamide
CID 166165838
1-[4-[3-[2-[(3R)-3-(aminomethyl)piperazin-1-yl]-4-pyridinyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one
CID 166167333
3-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]-1,3-oxazol-2-one
CID 166165771
1-[4-[3-[2-[(3S)-3-aminopyrrolidin-1-yl]-4-pyridinyl]-2-hydroxy-5-methylphenyl]-2-chlorophenyl]-3-methylimidazol-2-one
CID 166166634
4-[3-[3-chloro-4-(3-methyl-2-oxoimidazol-1-yl)phenyl]-5-fluoro-2-hydroxyphenyl]-1-methyl-6-piperazin-1-ylpyridin-2-one
CID 166166690
1-[2-chloro-4-[2-hydroxy-3-(6-piperazin-1-ylpyridazin-4-yl)phenyl]phenyl]-3-methylimidazolidin-2-one
CID 166166003
1-[2-chloro-4-[3-[2-(3-ethyl-3-hydroxypyrrolidin-1-yl)-4-pyridinyl]-5-fluoro-2-hydroxyphenyl]phenyl]-3-methylimidazol-2-one
CID 166166652

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[3-[2-(1,4-diazepan-1-yl)-4-pyridinyl]-2-hydroxyphenyl]phenyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[2-chloro-4-[3-[2-(1,4-diazepan-1-yl)-4-pyridinyl]-2-hydroxyphenyl]phenyl]-3-methylimidazol-2-one (CID 171795961) is 1-[2-chloro-4-[3-[2-(1,4-diazepan-1-yl)-4-pyridinyl]-2-hydroxyphenyl]phenyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[2-chloro-4-[3-[2-(1,4-diazepan-1-yl)-4-pyridinyl]-2-hydroxyphenyl]phenyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[2-chloro-4-[3-[2-(1,4-diazepan-1-yl)-4-pyridinyl]-2-hydroxyphenyl]phenyl]-3-methylimidazol-2-one is Cn1ccn(-c2ccc(-c3cccc(-c4ccnc(N5CCCNCC5)c4)c3O)cc2Cl)c1=O.
What is the InChIKey of 1-[2-chloro-4-[3-[2-(1,4-diazepan-1-yl)-4-pyridinyl]-2-hydroxyphenyl]phenyl]-3-methylimidazol-2-one?
The InChIKey is ZBLMTELMYGROIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O2/c1-30-14-15-32(26(30)34)23-7-6-18(16-22(23)27)20-4-2-5-21(25(20)33)19-8-10-29-24(17-19)31-12-3-9-28-11-13-31/h2,4-8,10,14-17,28,33H,3,9,11-13H2,1H3.
What are the key properties of 1-[2-chloro-4-[3-[2-(1,4-diazepan-1-yl)-4-pyridinyl]-2-hydroxyphenyl]phenyl]-3-methylimidazol-2-one?
1-[2-chloro-4-[3-[2-(1,4-diazepan-1-yl)-4-pyridinyl]-2-hydroxyphenyl]phenyl]-3-methylimidazol-2-one has a molecular weight of 475.98 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[3-[2-(1,4-diazepan-1-yl)-4-pyridinyl]-2-hydroxyphenyl]phenyl]-3-methylimidazol-2-one is sourced from PubChem (CID 171795961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).