N-[5-(6-ethyl-1H-benzimidazol-2-yl)-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine

C25H22N6 — CID 25115318

IUPACN-[5-(6-ethyl-1H-benzimidazol-2-yl)-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESCCc1ccc2nc(-c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)[nH]c2c1
InChIInChI=1S/C25H22N6/c1-3-17-7-9-21-23(13-17)29-24(28-21)18-8-6-16(2)22(14-18)31-25-27-12-10-20(30-25)19-5-4-11-26-15-19/h4-15H,3H2,1-2H3,(H,28,29)(H,27,30,31)
InChIKeyFNGBKZRGPHOTIR-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.70
Rot. Bonds5

About N-[5-(6-ethyl-1H-benzimidazol-2-yl)-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine

N-[5-(6-ethyl-1H-benzimidazol-2-yl)-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine (PubChem CID 25115318) has the molecular formula C25H22N6 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[5-(6-ethyl-1H-benzimidazol-2-yl)-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[5-(6-ethyl-1H-benzimidazol-2-yl)-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
PubChem CID25115318
Molecular FormulaC25H22N6
Molecular Weight406.49 g/mol
Exact Mass406.19
IUPAC NameN-[5-(6-ethyl-1H-benzimidazol-2-yl)-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESCCc1ccc2nc(-c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)[nH]c2c1
InChIInChI=1S/C25H22N6/c1-3-17-7-9-21-23(13-17)29-24(28-21)18-8-6-16(2)22(14-18)31-25-27-12-10-20(30-25)19-5-4-11-26-15-19/h4-15H,3H2,1-2H3,(H,28,29)(H,27,30,31)
InChIKeyFNGBKZRGPHOTIR-UHFFFAOYSA-N
XLogP5.70
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 25115316
N-[2-(aminomethyl)-5-(6-chloro-1H-benzimidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 174611243
6-methyl-N-(4-pyridin-3-ylpyrimidin-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine
CID 90468101
2-methyl-1-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]butan-1-one
CID 90891668
4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonyl chloride
CID 87660156
methyl 4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]anilino]methyl]benzoate
CID 42625734
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]butanamide
CID 20772083
N-(2-ethoxyethyl)-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 67214311
N-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127040861
N-[4-[2-(dimethylamino)ethyl]phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 155689093
1-(4-chlorophenyl)-3-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]urea
CID 135393863
2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanamine
CID 82292187

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-ethyl-1H-benzimidazol-2-yl)-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-[5-(6-ethyl-1H-benzimidazol-2-yl)-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine (CID 25115318) is N-[5-(6-ethyl-1H-benzimidazol-2-yl)-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[5-(6-ethyl-1H-benzimidazol-2-yl)-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[5-(6-ethyl-1H-benzimidazol-2-yl)-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine is CCc1ccc2nc(-c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)[nH]c2c1.
What is the InChIKey of N-[5-(6-ethyl-1H-benzimidazol-2-yl)-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is FNGBKZRGPHOTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6/c1-3-17-7-9-21-23(13-17)29-24(28-21)18-8-6-16(2)22(14-18)31-25-27-12-10-20(30-25)19-5-4-11-26-15-19/h4-15H,3H2,1-2H3,(H,28,29)(H,27,30,31).
What are the key properties of N-[5-(6-ethyl-1H-benzimidazol-2-yl)-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine?
N-[5-(6-ethyl-1H-benzimidazol-2-yl)-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 406.49 g/mol, XLogP of 5.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-ethyl-1H-benzimidazol-2-yl)-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 25115318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).