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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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).