4-(benzimidazol-1-yl)-6-phenyl-N-[(1S)-1-phenylethyl]pyrimidin-2-amine

C25H21N5 — CID 59924822

IUPAC4-(benzimidazol-1-yl)-6-phenyl-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
SMILESC[C@H](Nc1nc(-c2ccccc2)cc(-n2cnc3ccccc32)n1)c1ccccc1
InChIInChI=1S/C25H21N5/c1-18(19-10-4-2-5-11-19)27-25-28-22(20-12-6-3-7-13-20)16-24(29-25)30-17-26-21-14-8-9-15-23(21)30/h2-18H,1H3,(H,27,28,29)/t18-/m0/s1
InChIKeyCRDGZTKSHVSKKN-SFHVURJKSA-N
MW391.48 g/mol
LogP5.66
Rot. Bonds5

About 4-(benzimidazol-1-yl)-6-phenyl-N-[(1S)-1-phenylethyl]pyrimidin-2-amine

4-(benzimidazol-1-yl)-6-phenyl-N-[(1S)-1-phenylethyl]pyrimidin-2-amine (PubChem CID 59924822) has the molecular formula C25H21N5 and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-6-phenyl-N-[(1S)-1-phenylethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-6-phenyl-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
PubChem CID59924822
Molecular FormulaC25H21N5
Molecular Weight391.48 g/mol
Exact Mass391.18
IUPAC Name4-(benzimidazol-1-yl)-6-phenyl-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
SMILESC[C@H](Nc1nc(-c2ccccc2)cc(-n2cnc3ccccc32)n1)c1ccccc1
InChIInChI=1S/C25H21N5/c1-18(19-10-4-2-5-11-19)27-25-28-22(20-12-6-3-7-13-20)16-24(29-25)30-17-26-21-14-8-9-15-23(21)30/h2-18H,1H3,(H,27,28,29)/t18-/m0/s1
InChIKeyCRDGZTKSHVSKKN-SFHVURJKSA-N
XLogP5.66
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.48
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzimidazol-1-yl)-6-(methoxymethyl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 59924790
4-(benzimidazol-1-yl)-6-(methoxymethyl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375677
4-azido-6-(benzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 86758760
N-(1-phenylethyl)-4-[5-(6-phenylpyridazin-3-yl)benzimidazol-1-yl]pyrimidin-2-amine
CID 18375700
4-(2-methylphenyl)-N-(1-phenylethyl)-6-(6-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-amine
CID 18342878
4-(2-methylphenyl)-N-(1-phenylethyl)-6-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine
CID 18375626
4-[5-(2-hydrazinylpyrimidin-4-yl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375876
[2-[2-(1-phenylethylamino)-6-(5-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-4-yl]phenyl]methanol
CID 18375942
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]ethane-1,2-diamine
CID 18342778
N-(1-phenylethyl)-4-(5-pyridin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine
CID 18375556
4-[5-(3-nitrophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375704

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-6-phenyl-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?
The IUPAC name of 4-(benzimidazol-1-yl)-6-phenyl-N-[(1S)-1-phenylethyl]pyrimidin-2-amine (CID 59924822) is 4-(benzimidazol-1-yl)-6-phenyl-N-[(1S)-1-phenylethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(benzimidazol-1-yl)-6-phenyl-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?
The canonical SMILES for 4-(benzimidazol-1-yl)-6-phenyl-N-[(1S)-1-phenylethyl]pyrimidin-2-amine is C[C@H](Nc1nc(-c2ccccc2)cc(-n2cnc3ccccc32)n1)c1ccccc1.
What is the InChIKey of 4-(benzimidazol-1-yl)-6-phenyl-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?
The InChIKey is CRDGZTKSHVSKKN-SFHVURJKSA-N. The full InChI is InChI=1S/C25H21N5/c1-18(19-10-4-2-5-11-19)27-25-28-22(20-12-6-3-7-13-20)16-24(29-25)30-17-26-21-14-8-9-15-23(21)30/h2-18H,1H3,(H,27,28,29)/t18-/m0/s1.
What are the key properties of 4-(benzimidazol-1-yl)-6-phenyl-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?
4-(benzimidazol-1-yl)-6-phenyl-N-[(1S)-1-phenylethyl]pyrimidin-2-amine has a molecular weight of 391.48 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-6-phenyl-N-[(1S)-1-phenylethyl]pyrimidin-2-amine is sourced from PubChem (CID 59924822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).