1-[2-[[1-[3-(3-chloro-5-methoxyphenyl)-1,2-dihydroimidazol-5-yl]cyclopropyl]amino]pyrimidin-4-yl]-3-methylimidazolidin-2-one

C21H24ClN7O2 — CID 137447341

IUPAC1-[2-[[1-[3-(3-chloro-5-methoxyphenyl)-1,2-dihydroimidazol-5-yl]cyclopropyl]amino]pyrimidin-4-yl]-3-methylimidazolidin-2-one
SMILESCOc1cc(Cl)cc(N2C=C(C3(Nc4nccc(N5CCN(C)C5=O)n4)CC3)NC2)c1
InChIInChI=1S/C21H24ClN7O2/c1-27-7-8-29(20(27)30)18-3-6-23-19(25-18)26-21(4-5-21)17-12-28(13-24-17)15-9-14(22)10-16(11-15)31-2/h3,6,9-12,24H,4-5,7-8,13H2,1-2H3,(H,23,25,26)
InChIKeyUWOVOWUXRAUMKS-UHFFFAOYSA-N
MW441.92 g/mol
LogP2.86
Rot. Bonds6

About 1-[2-[[1-[3-(3-chloro-5-methoxyphenyl)-1,2-dihydroimidazol-5-yl]cyclopropyl]amino]pyrimidin-4-yl]-3-methylimidazolidin-2-one

1-[2-[[1-[3-(3-chloro-5-methoxyphenyl)-1,2-dihydroimidazol-5-yl]cyclopropyl]amino]pyrimidin-4-yl]-3-methylimidazolidin-2-one (PubChem CID 137447341) has the molecular formula C21H24ClN7O2 and a molecular weight of 441.92 g/mol. Its IUPAC name is 1-[2-[[1-[3-(3-chloro-5-methoxyphenyl)-1,2-dihydroimidazol-5-yl]cyclopropyl]amino]pyrimidin-4-yl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[1-[3-(3-chloro-5-methoxyphenyl)-1,2-dihydroimidazol-5-yl]cyclopropyl]amino]pyrimidin-4-yl]-3-methylimidazolidin-2-one
PubChem CID137447341
Molecular FormulaC21H24ClN7O2
Molecular Weight441.92 g/mol
Exact Mass441.17
IUPAC Name1-[2-[[1-[3-(3-chloro-5-methoxyphenyl)-1,2-dihydroimidazol-5-yl]cyclopropyl]amino]pyrimidin-4-yl]-3-methylimidazolidin-2-one
SMILESCOc1cc(Cl)cc(N2C=C(C3(Nc4nccc(N5CCN(C)C5=O)n4)CC3)NC2)c1
InChIInChI=1S/C21H24ClN7O2/c1-27-7-8-29(20(27)30)18-3-6-23-19(25-18)26-21(4-5-21)17-12-28(13-24-17)15-9-14(22)10-16(11-15)31-2/h3,6,9-12,24H,4-5,7-8,13H2,1-2H3,(H,23,25,26)
InChIKeyUWOVOWUXRAUMKS-UHFFFAOYSA-N
XLogP2.86
TPSA85.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-dihydroimidazol-5-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine
CID 137447517
1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]-3-methylimidazolidin-2-one
CID 137447311
3-[2-[[1-(5-bromo-6-methoxynaphthalen-2-yl)cyclopropyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 158555776
(4S)-3-[2-[[1-[1-(3-chloro-5-fluorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one
CID 130469629
N-[1-[1-(cyclopentylmethyl)imidazol-4-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine
CID 137447301
3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one
CID 142748952
1-[2-[[1-[1-(5-methyl-2-pyridinyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]imidazolidin-2-one
CID 130469778
1-methyl-3-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one
CID 18342785
6-chloro-3-[1-[[4-(2-oxopyrrolidin-1-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 146221954
1-(2-methoxy-3-pyridinyl)-3-methylimidazolidin-2-one
CID 175538511
1-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]imidazolidin-2-one;propane
CID 145372276
4-[3-(3-chloro-5-methoxyphenyl)-1-methylpyrazol-4-yl]-N-methylpyrimidin-2-amine
CID 68836788

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-[3-(3-chloro-5-methoxyphenyl)-1,2-dihydroimidazol-5-yl]cyclopropyl]amino]pyrimidin-4-yl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[2-[[1-[3-(3-chloro-5-methoxyphenyl)-1,2-dihydroimidazol-5-yl]cyclopropyl]amino]pyrimidin-4-yl]-3-methylimidazolidin-2-one (CID 137447341) is 1-[2-[[1-[3-(3-chloro-5-methoxyphenyl)-1,2-dihydroimidazol-5-yl]cyclopropyl]amino]pyrimidin-4-yl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[2-[[1-[3-(3-chloro-5-methoxyphenyl)-1,2-dihydroimidazol-5-yl]cyclopropyl]amino]pyrimidin-4-yl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[2-[[1-[3-(3-chloro-5-methoxyphenyl)-1,2-dihydroimidazol-5-yl]cyclopropyl]amino]pyrimidin-4-yl]-3-methylimidazolidin-2-one is COc1cc(Cl)cc(N2C=C(C3(Nc4nccc(N5CCN(C)C5=O)n4)CC3)NC2)c1.
What is the InChIKey of 1-[2-[[1-[3-(3-chloro-5-methoxyphenyl)-1,2-dihydroimidazol-5-yl]cyclopropyl]amino]pyrimidin-4-yl]-3-methylimidazolidin-2-one?
The InChIKey is UWOVOWUXRAUMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN7O2/c1-27-7-8-29(20(27)30)18-3-6-23-19(25-18)26-21(4-5-21)17-12-28(13-24-17)15-9-14(22)10-16(11-15)31-2/h3,6,9-12,24H,4-5,7-8,13H2,1-2H3,(H,23,25,26).
What are the key properties of 1-[2-[[1-[3-(3-chloro-5-methoxyphenyl)-1,2-dihydroimidazol-5-yl]cyclopropyl]amino]pyrimidin-4-yl]-3-methylimidazolidin-2-one?
1-[2-[[1-[3-(3-chloro-5-methoxyphenyl)-1,2-dihydroimidazol-5-yl]cyclopropyl]amino]pyrimidin-4-yl]-3-methylimidazolidin-2-one has a molecular weight of 441.92 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-[3-(3-chloro-5-methoxyphenyl)-1,2-dihydroimidazol-5-yl]cyclopropyl]amino]pyrimidin-4-yl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 137447341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).