4-[6-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine

C25H19Cl2N5 — CID 18342869

IUPAC4-[6-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
SMILESCC(Nc1nccc(-n2cnc3ccc(-c4ccc(Cl)cc4Cl)cc32)n1)c1ccccc1
InChIInChI=1S/C25H19Cl2N5/c1-16(17-5-3-2-4-6-17)30-25-28-12-11-24(31-25)32-15-29-22-10-7-18(13-23(22)32)20-9-8-19(26)14-21(20)27/h2-16H,1H3,(H,28,30,31)
InChIKeyDZRHFCFCCRXRBR-UHFFFAOYSA-N
MW460.37 g/mol
LogP6.96
Rot. Bonds5

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

4-[6-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine (PubChem CID 18342869) has the molecular formula C25H19Cl2N5 and a molecular weight of 460.37 g/mol. Its IUPAC name is 4-[6-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
PubChem CID18342869
Molecular FormulaC25H19Cl2N5
Molecular Weight460.37 g/mol
Exact Mass459.10
IUPAC Name4-[6-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
SMILESCC(Nc1nccc(-n2cnc3ccc(-c4ccc(Cl)cc4Cl)cc32)n1)c1ccccc1
InChIInChI=1S/C25H19Cl2N5/c1-16(17-5-3-2-4-6-17)30-25-28-12-11-24(31-25)32-15-29-22-10-7-18(13-23(22)32)20-9-8-19(26)14-21(20)27/h2-16H,1H3,(H,28,30,31)
InChIKeyDZRHFCFCCRXRBR-UHFFFAOYSA-N
XLogP6.96
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.37
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]benzonitrile
CID 18375990
3-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-pyrimidin-2-ylbenzimidazol-5-amine
CID 18375612
4-[5-(2-methylphenyl)benzimidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 59924910
4-[5-(2-aminophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375606
3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-N,N-bis(prop-2-enyl)benzimidazol-5-amine
CID 59924740
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
N,N'-diamino-3-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazole-5-carboximidamide
CID 142035815
N-(1-phenylethyl)-4-(5-pyridin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine
CID 18375556
4-[5-(2-hydrazinylpyrimidin-4-yl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375876
4-(5-methoxybenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 59924945
N-tert-butyl-2-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]benzenesulfonamide
CID 59924911

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine?
The IUPAC name of 4-[6-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine (CID 18342869) is 4-[6-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[6-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[6-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine is CC(Nc1nccc(-n2cnc3ccc(-c4ccc(Cl)cc4Cl)cc32)n1)c1ccccc1.
What is the InChIKey of 4-[6-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine?
The InChIKey is DZRHFCFCCRXRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2N5/c1-16(17-5-3-2-4-6-17)30-25-28-12-11-24(31-25)32-15-29-22-10-7-18(13-23(22)32)20-9-8-19(26)14-21(20)27/h2-16H,1H3,(H,28,30,31).
What are the key properties of 4-[6-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine?
4-[6-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine has a molecular weight of 460.37 g/mol, XLogP of 6.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,4-dichlorophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine is sourced from PubChem (CID 18342869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).