3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one

C24H26ClN7O — CID 142748952

IUPAC3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one
SMILESCc1ccc(-n2cnc(C3(Nc4nccc(-n5c(C(C)C)cn(C)c5=O)n4)CC3)c2)cc1Cl
InChIInChI=1S/C24H26ClN7O/c1-15(2)19-12-30(4)23(33)32(19)21-7-10-26-22(28-21)29-24(8-9-24)20-13-31(14-27-20)17-6-5-16(3)18(25)11-17/h5-7,10-15H,8-9H2,1-4H3,(H,26,28,29)
InChIKeyDBHKSCNUDCGYQX-UHFFFAOYSA-N
MW463.97 g/mol
LogP4.34
Rot. Bonds6

About 3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one

3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one (PubChem CID 142748952) has the molecular formula C24H26ClN7O and a molecular weight of 463.97 g/mol. Its IUPAC name is 3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one
PubChem CID142748952
Molecular FormulaC24H26ClN7O
Molecular Weight463.97 g/mol
Exact Mass463.19
IUPAC Name3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one
SMILESCc1ccc(-n2cnc(C3(Nc4nccc(-n5c(C(C)C)cn(C)c5=O)n4)CC3)c2)cc1Cl
InChIInChI=1S/C24H26ClN7O/c1-15(2)19-12-30(4)23(33)32(19)21-7-10-26-22(28-21)29-24(8-9-24)20-13-31(14-27-20)17-6-5-16(3)18(25)11-17/h5-7,10-15H,8-9H2,1-4H3,(H,26,28,29)
InChIKeyDBHKSCNUDCGYQX-UHFFFAOYSA-N
XLogP4.34
TPSA82.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine
CID 2766552
2,4-Disubstituted Pyrimidine 2i
CID 5329422
2,4-Disubstituted Pyrimidine 2j
CID 5329423
3-(3-Chlorophenyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}propan-1-Amine
CID 118656319
4-(2-(4-(2-Aminoethyl)Piperazin-1-Yl)Pyridin-4-Yl)-N-(3-Chloro-4-Methylphenyl)Pyrimidin-2-Amine
CID 656967
6-amino-2-(butylamino)-9-[(6-chloro-3-pyridinyl)methyl]-7H-purin-8-one
CID 9819683
N-(4-(1-((6-aminopyridin-2-yl)methyl)-5-(2-chlorophenyl)-1H-pyrrol-2-yl)phenyl)pyrimidin-5-amine
CID 11546946
1-[4-(4-amino-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-6-yl)phenyl]-3-(3-chlorophenyl)urea
CID 15941394
3-chloro-N-(4-chlorophenyl)-5-(4-methyl-1-propyl-1H-imidazol-2-yl)pyridin-2-amine
CID 24785223
3-chloro-N-(4-chlorophenyl)-5-(4,5-dimethyl-1-propyl-1H-imidazol-2-yl)pyridin-2-amine
CID 24785482
1-(8-(2-chloro-4-fluorobenzylamino)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl)pyridin-2(1H)-one
CID 24888656
1-[2-[[4-[2-cyclopropyl-4-(2,5-dichlorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
CID 44448666

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one?
The IUPAC name of 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) is 3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one.
What is the SMILES notation for 3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one?
The canonical SMILES for 3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one is Cc1ccc(-n2cnc(C3(Nc4nccc(-n5c(C(C)C)cn(C)c5=O)n4)CC3)c2)cc1Cl.
What is the InChIKey of 3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one?
The InChIKey is DBHKSCNUDCGYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN7O/c1-15(2)19-12-30(4)23(33)32(19)21-7-10-26-22(28-21)29-24(8-9-24)20-13-31(14-27-20)17-6-5-16(3)18(25)11-17/h5-7,10-15H,8-9H2,1-4H3,(H,26,28,29).
What are the key properties of 3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one?
3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one has a molecular weight of 463.97 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[1-[1-(3-chloro-4-methylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazol-2-one is sourced from PubChem (CID 142748952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).