1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]imidazolidin-2-one;2-methylpropane

C21H26ClN7O — CID 145372237

IUPAC1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]imidazolidin-2-one;2-methylpropane
SMILESCC(C)C.O=C1NCCN1c1ccnc(NCc2cn(-c3ccc(Cl)cc3)cn2)n1
InChIInChI=1S/C17H16ClN7O.C4H10/c18-12-1-3-14(4-2-12)24-10-13(22-11-24)9-21-16-19-6-5-15(23-16)25-8-7-20-17(25)26;1-4(2)3/h1-6,10-11H,7-9H2,(H,20,26)(H,19,21,23);4H,1-3H3
InChIKeyOHMJQKFVHSBLSB-UHFFFAOYSA-N
MW427.94 g/mol
LogP4.12
Rot. Bonds5

About 1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]imidazolidin-2-one;2-methylpropane

1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]imidazolidin-2-one;2-methylpropane (PubChem CID 145372237) has the molecular formula C21H26ClN7O and a molecular weight of 427.94 g/mol. Its IUPAC name is 1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]imidazolidin-2-one;2-methylpropane.

Molecular Properties

Compound Name1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]imidazolidin-2-one;2-methylpropane
PubChem CID145372237
Molecular FormulaC21H26ClN7O
Molecular Weight427.94 g/mol
Exact Mass427.19
IUPAC Name1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]imidazolidin-2-one;2-methylpropane
SMILESCC(C)C.O=C1NCCN1c1ccnc(NCc2cn(-c3ccc(Cl)cc3)cn2)n1
InChIInChI=1S/C17H16ClN7O.C4H10/c18-12-1-3-14(4-2-12)24-10-13(22-11-24)9-21-16-19-6-5-15(23-16)25-8-7-20-17(25)26;1-4(2)3/h1-6,10-11H,7-9H2,(H,20,26)(H,19,21,23);4H,1-3H3
InChIKeyOHMJQKFVHSBLSB-UHFFFAOYSA-N
XLogP4.12
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]imidazolidin-2-one;2-methylpropane 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-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]-3-methylimidazolidin-2-one
CID 137447311
(5S)-1-[2-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one
CID 137440064
(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
1-[2-[[1-[1-(5-methyl-2-pyridinyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]imidazolidin-2-one
CID 130469778
1-[4-[(2-methylpyrimidin-4-yl)methylamino]phenyl]imidazolidin-2-one
CID 62749296
1-[[2-[[(1S)-1-[1-(4-cyclopropylphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]methyl]imidazolidin-2-one
CID 142748940
2-[1-(4-chlorophenyl)imidazol-4-yl]acetic acid
CID 82476530
1-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]imidazolidin-2-one;propane
CID 145372276
(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
N-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883847
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883380
4-[2-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888512

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]imidazolidin-2-one;2-methylpropane?
The IUPAC name of 1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]imidazolidin-2-one;2-methylpropane (CID 145372237) is 1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]imidazolidin-2-one;2-methylpropane.
What is the SMILES notation for 1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]imidazolidin-2-one;2-methylpropane?
The canonical SMILES for 1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]imidazolidin-2-one;2-methylpropane is CC(C)C.O=C1NCCN1c1ccnc(NCc2cn(-c3ccc(Cl)cc3)cn2)n1.
What is the InChIKey of 1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]imidazolidin-2-one;2-methylpropane?
The InChIKey is OHMJQKFVHSBLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN7O.C4H10/c18-12-1-3-14(4-2-12)24-10-13(22-11-24)9-21-16-19-6-5-15(23-16)25-8-7-20-17(25)26;1-4(2)3/h1-6,10-11H,7-9H2,(H,20,26)(H,19,21,23);4H,1-3H3.
What are the key properties of 1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]imidazolidin-2-one;2-methylpropane?
1-[2-[[1-(4-chlorophenyl)imidazol-4-yl]methylamino]pyrimidin-4-yl]imidazolidin-2-one;2-methylpropane has a molecular weight of 427.94 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 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]imidazolidin-2-one;2-methylpropane is sourced from PubChem (CID 145372237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).