4-(2-methylphenyl)-N-(1-phenylethyl)-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-amine

C31H26N6 — CID 18342878

IUPAC4-(2-methylphenyl)-N-(1-phenylethyl)-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-amine
SMILESCc1ccccc1-c1cc(-n2cnc3ccc(-c4ccncc4)cc32)nc(NC(C)c2ccccc2)n1
InChIInChI=1S/C31H26N6/c1-21-8-6-7-11-26(21)28-19-30(36-31(35-28)34-22(2)23-9-4-3-5-10-23)37-20-33-27-13-12-25(18-29(27)37)24-14-16-32-17-15-24/h3-20,22H,1-2H3,(H,34,35,36)
InChIKeyFSXKXFLWKAFJCT-UHFFFAOYSA-N
MW482.59 g/mol
LogP7.03
Rot. Bonds6

About 4-(2-methylphenyl)-N-(1-phenylethyl)-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-amine

4-(2-methylphenyl)-N-(1-phenylethyl)-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-amine (PubChem CID 18342878) has the molecular formula C31H26N6 and a molecular weight of 482.59 g/mol. Its IUPAC name is 4-(2-methylphenyl)-N-(1-phenylethyl)-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methylphenyl)-N-(1-phenylethyl)-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-amine
PubChem CID18342878
Molecular FormulaC31H26N6
Molecular Weight482.59 g/mol
Exact Mass482.22
IUPAC Name4-(2-methylphenyl)-N-(1-phenylethyl)-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-amine
SMILESCc1ccccc1-c1cc(-n2cnc3ccc(-c4ccncc4)cc32)nc(NC(C)c2ccccc2)n1
InChIInChI=1S/C31H26N6/c1-21-8-6-7-11-26(21)28-19-30(36-31(35-28)34-22(2)23-9-4-3-5-10-23)37-20-33-27-13-12-25(18-29(27)37)24-14-16-32-17-15-24/h3-20,22H,1-2H3,(H,34,35,36)
InChIKeyFSXKXFLWKAFJCT-UHFFFAOYSA-N
XLogP7.03
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.59
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-(1-phenylethylamino)-6-(5-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-4-yl]phenyl]methanol
CID 18375942
4-(2-methylphenyl)-N-(1-phenylethyl)-6-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine
CID 18375626
4-(benzimidazol-1-yl)-6-phenyl-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 59924822
4-[5-(2-methylphenyl)benzimidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 59924910
4-[3-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]benzonitrile
CID 18375990
4-[6-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 18342869
3-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-pyrimidin-2-ylbenzimidazol-5-amine
CID 18375612
4-[5-(2-aminophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375606
4-[5-(2-hydrazinylpyrimidin-4-yl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375876
N-(1-phenylethyl)-4-(5-pyridin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine
CID 18375556
N-(1-phenylethyl)-4-[5-(6-phenylpyridazin-3-yl)benzimidazol-1-yl]pyrimidin-2-amine
CID 18375700
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-(6-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(2-methylphenyl)-N-(1-phenylethyl)-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-amine (CID 18342878) is 4-(2-methylphenyl)-N-(1-phenylethyl)-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-methylphenyl)-N-(1-phenylethyl)-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-methylphenyl)-N-(1-phenylethyl)-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-amine is Cc1ccccc1-c1cc(-n2cnc3ccc(-c4ccncc4)cc32)nc(NC(C)c2ccccc2)n1.
What is the InChIKey of 4-(2-methylphenyl)-N-(1-phenylethyl)-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-amine?
The InChIKey is FSXKXFLWKAFJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N6/c1-21-8-6-7-11-26(21)28-19-30(36-31(35-28)34-22(2)23-9-4-3-5-10-23)37-20-33-27-13-12-25(18-29(27)37)24-14-16-32-17-15-24/h3-20,22H,1-2H3,(H,34,35,36).
What are the key properties of 4-(2-methylphenyl)-N-(1-phenylethyl)-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-amine?
4-(2-methylphenyl)-N-(1-phenylethyl)-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-amine has a molecular weight of 482.59 g/mol, XLogP of 7.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-N-(1-phenylethyl)-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 18342878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).