4-[[4-[4-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidin-2-yl]amino]benzamide

C20H18N6O — CID 142946370

IUPAC4-[[4-[4-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidin-2-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2nccc(-c3ccc(N4C=NCC4)cc3)n2)cc1
InChIInChI=1S/C20H18N6O/c21-19(27)15-1-5-16(6-2-15)24-20-23-10-9-18(25-20)14-3-7-17(8-4-14)26-12-11-22-13-26/h1-10,13H,11-12H2,(H2,21,27)(H,23,24,25)
InChIKeyVQIKFBPJRCXESW-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.83
Rot. Bonds5

About 4-[[4-[4-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidin-2-yl]amino]benzamide

4-[[4-[4-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidin-2-yl]amino]benzamide (PubChem CID 142946370) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 4-[[4-[4-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-[4-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidin-2-yl]amino]benzamide
PubChem CID142946370
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name4-[[4-[4-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidin-2-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2nccc(-c3ccc(N4C=NCC4)cc3)n2)cc1
InChIInChI=1S/C20H18N6O/c21-19(27)15-1-5-16(6-2-15)24-20-23-10-9-18(25-20)14-3-7-17(8-4-14)26-12-11-22-13-26/h1-10,13H,11-12H2,(H2,21,27)(H,23,24,25)
InChIKeyVQIKFBPJRCXESW-UHFFFAOYSA-N
XLogP2.83
TPSA96.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[4-(4,5-dihydroimidazol-1-yl)phenyl]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

4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide
CID 69235477
4-[[4-(4-pyrrol-1-ylphenyl)pyrimidin-2-yl]amino]benzamide
CID 58599454
4-[[4-(4-butylsulfanylphenyl)pyrimidin-2-yl]amino]benzamide
CID 142145636
2-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide
CID 154271986
N-(aminomethyl)-4-[2-(4-thiomorpholin-4-ylanilino)pyrimidin-4-yl]benzamide
CID 70864429
4-[[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]amino]benzamide;N-[4-[[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 158864698
4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide
CID 10090314
4-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]benzamide
CID 22142690
2-cyclopropyl-1-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]ethanone
CID 157060692
4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzamide
CID 44580824
4-[[4-[4-(4-chlorocyclohexa-2,4-dien-1-yl)sulfonylphenyl]pyrimidin-2-yl]amino]benzamide
CID 71056045
4-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]piperazin-1-yl]benzamide;piperazine
CID 174974532

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidin-2-yl]amino]benzamide?
The IUPAC name of 4-[[4-[4-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidin-2-yl]amino]benzamide (CID 142946370) is 4-[[4-[4-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[4-[4-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 4-[[4-[4-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidin-2-yl]amino]benzamide is NC(=O)c1ccc(Nc2nccc(-c3ccc(N4C=NCC4)cc3)n2)cc1.
What is the InChIKey of 4-[[4-[4-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidin-2-yl]amino]benzamide?
The InChIKey is VQIKFBPJRCXESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c21-19(27)15-1-5-16(6-2-15)24-20-23-10-9-18(25-20)14-3-7-17(8-4-14)26-12-11-22-13-26/h1-10,13H,11-12H2,(H2,21,27)(H,23,24,25).
What are the key properties of 4-[[4-[4-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidin-2-yl]amino]benzamide?
4-[[4-[4-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidin-2-yl]amino]benzamide has a molecular weight of 358.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 142946370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).