1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]-3-methylimidazolidin-2-one

C18H18ClN7O — CID 137447311

IUPAC1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccnc(NCc3cn(-c4ccc(Cl)cc4)cn3)n2)C1=O
InChIInChI=1S/C18H18ClN7O/c1-24-8-9-26(18(24)27)16-6-7-20-17(23-16)21-10-14-11-25(12-22-14)15-4-2-13(19)3-5-15/h2-7,11-12H,8-10H2,1H3,(H,20,21,23)
InChIKeyWGNZCTXRZUJGEV-UHFFFAOYSA-N
MW383.84 g/mol
LogP2.80
Rot. Bonds5

About 1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]-3-methylimidazolidin-2-one

1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]-3-methylimidazolidin-2-one (PubChem CID 137447311) has the molecular formula C18H18ClN7O and a molecular weight of 383.84 g/mol. Its IUPAC name is 1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]-3-methylimidazolidin-2-one
PubChem CID137447311
Molecular FormulaC18H18ClN7O
Molecular Weight383.84 g/mol
Exact Mass383.13
IUPAC Name1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccnc(NCc3cn(-c4ccc(Cl)cc4)cn3)n2)C1=O
InChIInChI=1S/C18H18ClN7O/c1-24-8-9-26(18(24)27)16-6-7-20-17(23-16)21-10-14-11-25(12-22-14)15-4-2-13(19)3-5-15/h2-7,11-12H,8-10H2,1H3,(H,20,21,23)
InChIKeyWGNZCTXRZUJGEV-UHFFFAOYSA-N
XLogP2.80
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]imidazolidin-2-one;2-methylpropane
CID 145372237
(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,4-dideuterio-3-methyl-5-propan-2-ylimidazolidin-2-one
CID 137439990
2-[1-(4-chlorophenyl)imidazol-4-yl]acetic acid
CID 82476530
N-[1-[1-(4-chlorophenyl)-2-methylimidazol-4-yl]ethyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine
CID 137447354
1-[2-[[1-[3-(3-chloro-5-methoxyphenyl)-1,2-dihydroimidazol-5-yl]cyclopropyl]amino]pyrimidin-4-yl]-3-methylimidazolidin-2-one
CID 137447341
(4S,5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-methyl-5-propan-2-ylpyrrolidin-2-one
CID 159270671
(5S)-1-[2-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one
CID 137440064
N-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883847
1-methyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one
CID 18342785
4-[2-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888512
4-methyl-6-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,6-diazaspiro[2.4]heptan-5-one;propane
CID 145372302
N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112893321

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]-3-methylimidazolidin-2-one (CID 137447311) is 1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]-3-methylimidazolidin-2-one is CN1CCN(c2ccnc(NCc3cn(-c4ccc(Cl)cc4)cn3)n2)C1=O.
What is the InChIKey of 1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]-3-methylimidazolidin-2-one?
The InChIKey is WGNZCTXRZUJGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN7O/c1-24-8-9-26(18(24)27)16-6-7-20-17(23-16)21-10-14-11-25(12-22-14)15-4-2-13(19)3-5-15/h2-7,11-12H,8-10H2,1H3,(H,20,21,23).
What are the key properties of 1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]-3-methylimidazolidin-2-one?
1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]-3-methylimidazolidin-2-one has a molecular weight of 383.84 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 137447311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).