N-(3,5-dichlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine

C19H13Cl2N5 — CID 5329423

IUPACN-(3,5-dichlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine
SMILESClc1cc(Cl)cc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1
InChIInChI=1S/C19H13Cl2N5/c20-14-10-15(21)12-16(11-14)24-19-23-7-6-17(25-19)26-9-8-22-18(26)13-4-2-1-3-5-13/h1-12H,(H,23,24,25)
InChIKeyPRMOKNGXXJPBMD-UHFFFAOYSA-N
MW382.25 g/mol
LogP5.38
Rot. Bonds4

About N-(3,5-dichlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine

N-(3,5-dichlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine (PubChem CID 5329423) has the molecular formula C19H13Cl2N5 and a molecular weight of 382.25 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine
PubChem CID5329423
Molecular FormulaC19H13Cl2N5
Molecular Weight382.25 g/mol
Exact Mass381.05
IUPAC NameN-(3,5-dichlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine
SMILESClc1cc(Cl)cc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1
InChIInChI=1S/C19H13Cl2N5/c20-14-10-15(21)12-16(11-14)24-19-23-7-6-17(25-19)26-9-8-22-18(26)13-4-2-1-3-5-13/h1-12H,(H,23,24,25)
InChIKeyPRMOKNGXXJPBMD-UHFFFAOYSA-N
XLogP5.38
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.25
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine (CID 5329423) is N-(3,5-dichlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine is Clc1cc(Cl)cc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
The InChIKey is PRMOKNGXXJPBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N5/c20-14-10-15(21)12-16(11-14)24-19-23-7-6-17(25-19)26-9-8-22-18(26)13-4-2-1-3-5-13/h1-12H,(H,23,24,25).
What are the key properties of N-(3,5-dichlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
N-(3,5-dichlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine has a molecular weight of 382.25 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 5329423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).