N-(1-phenylethyl)-4-(5-pyridin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine

C24H20N6 — CID 18375556

IUPACN-(1-phenylethyl)-4-(5-pyridin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine
SMILESCC(Nc1nccc(-n2cnc3cc(-c4cccnc4)ccc32)n1)c1ccccc1
InChIInChI=1S/C24H20N6/c1-17(18-6-3-2-4-7-18)28-24-26-13-11-23(29-24)30-16-27-21-14-19(9-10-22(21)30)20-8-5-12-25-15-20/h2-17H,1H3,(H,26,28,29)
InChIKeyLQADNUGFEABQCK-UHFFFAOYSA-N
MW392.47 g/mol
LogP5.05
Rot. Bonds5

About N-(1-phenylethyl)-4-(5-pyridin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine

N-(1-phenylethyl)-4-(5-pyridin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine (PubChem CID 18375556) has the molecular formula C24H20N6 and a molecular weight of 392.47 g/mol. Its IUPAC name is N-(1-phenylethyl)-4-(5-pyridin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)-4-(5-pyridin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine
PubChem CID18375556
Molecular FormulaC24H20N6
Molecular Weight392.47 g/mol
Exact Mass392.17
IUPAC NameN-(1-phenylethyl)-4-(5-pyridin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine
SMILESCC(Nc1nccc(-n2cnc3cc(-c4cccnc4)ccc32)n1)c1ccccc1
InChIInChI=1S/C24H20N6/c1-17(18-6-3-2-4-7-18)28-24-26-13-11-23(29-24)30-16-27-21-14-19(9-10-22(21)30)20-8-5-12-25-15-20/h2-17H,1H3,(H,26,28,29)
InChIKeyLQADNUGFEABQCK-UHFFFAOYSA-N
XLogP5.05
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-[5-(2-methylphenyl)benzimidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 59924910
4-[5-(3-nitrophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375704
4-[5-[3,5-bis(trifluoromethyl)phenyl]benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375983
4-[5-(2-hydrazinylpyrimidin-4-yl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375876
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]ethane-1,2-diamine
CID 18342778
4-(5-methoxybenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 59924945
N-[4-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]pyrimidin-2-yl]acetamide
CID 18342777
4-(5-nitrobenzimidazol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375448
4-[5-(4-amino-3-nitrophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375995

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-4-(5-pyridin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(1-phenylethyl)-4-(5-pyridin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine (CID 18375556) is N-(1-phenylethyl)-4-(5-pyridin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(1-phenylethyl)-4-(5-pyridin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(1-phenylethyl)-4-(5-pyridin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine is CC(Nc1nccc(-n2cnc3cc(-c4cccnc4)ccc32)n1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-4-(5-pyridin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine?
The InChIKey is LQADNUGFEABQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6/c1-17(18-6-3-2-4-7-18)28-24-26-13-11-23(29-24)30-16-27-21-14-19(9-10-22(21)30)20-8-5-12-25-15-20/h2-17H,1H3,(H,26,28,29).
What are the key properties of N-(1-phenylethyl)-4-(5-pyridin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine?
N-(1-phenylethyl)-4-(5-pyridin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine has a molecular weight of 392.47 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-4-(5-pyridin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 18375556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).