4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide

C18H20N6O — CID 11717025

IUPAC4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide
SMILESCc1ncc(-c2ccnc(Nc3ccc(C(N)=O)cc3)n2)n1C(C)C
InChIInChI=1S/C18H20N6O/c1-11(2)24-12(3)21-10-16(24)15-8-9-20-18(23-15)22-14-6-4-13(5-7-14)17(19)25/h4-11H,1-3H3,(H2,19,25)(H,20,22,23)
InChIKeyNQOBQXGFENCWJP-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.07
Rot. Bonds5

About 4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide

4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide (PubChem CID 11717025) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide
PubChem CID11717025
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide
SMILESCc1ncc(-c2ccnc(Nc3ccc(C(N)=O)cc3)n2)n1C(C)C
InChIInChI=1S/C18H20N6O/c1-11(2)24-12(3)21-10-16(24)15-8-9-20-18(23-15)22-14-6-4-13(5-7-14)17(19)25/h4-11H,1-3H3,(H2,19,25)(H,20,22,23)
InChIKeyNQOBQXGFENCWJP-UHFFFAOYSA-N
XLogP3.07
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide 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

Mocetinostat
CID 9865515
Nilotinib
CID 644241
Acalabrutinib
CID 71226662
Defactinib
CID 25117126
AR-H047108
CID 9864291
2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)-N-methylbenzamide
CID 11675054
N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 748028
N-(4-(((3S)-3-(dimethylamino)pyrrolidin-1-yl)carbonyl)phenyl)-5-fluoro-4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 16113377
4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)benzamide
CID 44563111
Cgp-53716
CID 9864718
2-[6-(diethylamino)pyridin-3-yl]-1-[(1-ethyl-1H-pyrazol-3-yl)methyl]-N-methyl-1H-1,3-benzodiazole-5-carboxamide
CID 138466007
2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8i
CID 6539313

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide?
The IUPAC name of 4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide (CID 11717025) is 4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide is Cc1ncc(-c2ccnc(Nc3ccc(C(N)=O)cc3)n2)n1C(C)C.
What is the InChIKey of 4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide?
The InChIKey is NQOBQXGFENCWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-11(2)24-12(3)21-10-16(24)15-8-9-20-18(23-15)22-14-6-4-13(5-7-14)17(19)25/h4-11H,1-3H3,(H2,19,25)(H,20,22,23).
What are the key properties of 4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide?
4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide has a molecular weight of 336.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 11717025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).