4-(2-methylphenyl)-N-(1-phenylethyl)-6-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine

C30H25N7 — CID 18375626

IUPAC4-(2-methylphenyl)-N-(1-phenylethyl)-6-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine
SMILESCc1ccccc1-c1cc(-n2cnc3cc(-c4cccnn4)ccc32)nc(NC(C)c2ccccc2)n1
InChIInChI=1S/C30H25N7/c1-20-9-6-7-12-24(20)26-18-29(35-30(34-26)33-21(2)22-10-4-3-5-11-22)37-19-31-27-17-23(14-15-28(27)37)25-13-8-16-32-36-25/h3-19,21H,1-2H3,(H,33,34,35)
InChIKeyAXNYSDNVJRKVIJ-UHFFFAOYSA-N
MW483.58 g/mol
LogP6.42
Rot. Bonds6

About 4-(2-methylphenyl)-N-(1-phenylethyl)-6-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine

4-(2-methylphenyl)-N-(1-phenylethyl)-6-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine (PubChem CID 18375626) has the molecular formula C30H25N7 and a molecular weight of 483.58 g/mol. Its IUPAC name is 4-(2-methylphenyl)-N-(1-phenylethyl)-6-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methylphenyl)-N-(1-phenylethyl)-6-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine
PubChem CID18375626
Molecular FormulaC30H25N7
Molecular Weight483.58 g/mol
Exact Mass483.22
IUPAC Name4-(2-methylphenyl)-N-(1-phenylethyl)-6-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine
SMILESCc1ccccc1-c1cc(-n2cnc3cc(-c4cccnn4)ccc32)nc(NC(C)c2ccccc2)n1
InChIInChI=1S/C30H25N7/c1-20-9-6-7-12-24(20)26-18-29(35-30(34-26)33-21(2)22-10-4-3-5-11-22)37-19-31-27-17-23(14-15-28(27)37)25-13-8-16-32-36-25/h3-19,21H,1-2H3,(H,33,34,35)
InChIKeyAXNYSDNVJRKVIJ-UHFFFAOYSA-N
XLogP6.42
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.58
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(2-methylphenyl)-N-(1-phenylethyl)-6-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine 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-(2-methylphenyl)-N-(1-phenylethyl)-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-amine
CID 18342878
4-[5-(2-methylphenyl)benzimidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 59924910
N-(1-phenylethyl)-4-[5-(6-phenylpyridazin-3-yl)benzimidazol-1-yl]pyrimidin-2-amine
CID 18375700
[2-[2-(1-phenylethylamino)-6-(5-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-4-yl]phenyl]methanol
CID 18375942
4-[5-(2-hydrazinylpyrimidin-4-yl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375876
4-(benzimidazol-1-yl)-6-phenyl-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 59924822
4-[5-(2-aminophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375606
N-[4-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]pyrimidin-2-yl]acetamide
CID 18342777
N'-[4-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]pyrimidin-2-yl]ethane-1,2-diamine
CID 18342778
N-(1-phenylethyl)-4-(5-pyridin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine
CID 18375556
N-tert-butyl-2-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]benzenesulfonamide
CID 59924911
4-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]benzene-1,2-diamine
CID 18375623

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-N-(1-phenylethyl)-6-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(2-methylphenyl)-N-(1-phenylethyl)-6-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine (CID 18375626) is 4-(2-methylphenyl)-N-(1-phenylethyl)-6-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-methylphenyl)-N-(1-phenylethyl)-6-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-methylphenyl)-N-(1-phenylethyl)-6-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine is Cc1ccccc1-c1cc(-n2cnc3cc(-c4cccnn4)ccc32)nc(NC(C)c2ccccc2)n1.
What is the InChIKey of 4-(2-methylphenyl)-N-(1-phenylethyl)-6-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine?
The InChIKey is AXNYSDNVJRKVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N7/c1-20-9-6-7-12-24(20)26-18-29(35-30(34-26)33-21(2)22-10-4-3-5-11-22)37-19-31-27-17-23(14-15-28(27)37)25-13-8-16-32-36-25/h3-19,21H,1-2H3,(H,33,34,35).
What are the key properties of 4-(2-methylphenyl)-N-(1-phenylethyl)-6-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine?
4-(2-methylphenyl)-N-(1-phenylethyl)-6-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine has a molecular weight of 483.58 g/mol, XLogP of 6.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-N-(1-phenylethyl)-6-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 18375626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).