N-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine

C20H17ClN4 — CID 7338792

IUPACN-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine
SMILESCc1ccc(-c2nc3ncccn3c2Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C20H17ClN4/c1-13-4-7-15(8-5-13)18-19(25-11-3-10-22-20(25)24-18)23-16-9-6-14(2)17(21)12-16/h3-12,23H,1-2H3
InChIKeyBQEKXGQKKWEENX-UHFFFAOYSA-N
MW348.84 g/mol
LogP5.41
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine

N-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine (PubChem CID 7338792) has the molecular formula C20H17ClN4 and a molecular weight of 348.84 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine
PubChem CID7338792
Molecular FormulaC20H17ClN4
Molecular Weight348.84 g/mol
Exact Mass348.11
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine
SMILESCc1ccc(-c2nc3ncccn3c2Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C20H17ClN4/c1-13-4-7-15(8-5-13)18-19(25-11-3-10-22-20(25)24-18)23-16-9-6-14(2)17(21)12-16/h3-12,23H,1-2H3
InChIKeyBQEKXGQKKWEENX-UHFFFAOYSA-N
XLogP5.41
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.84
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine (CID 7338792) is N-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine is Cc1ccc(-c2nc3ncccn3c2Nc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is BQEKXGQKKWEENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4/c1-13-4-7-15(8-5-13)18-19(25-11-3-10-22-20(25)24-18)23-16-9-6-14(2)17(21)12-16/h3-12,23H,1-2H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine?
N-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 348.84 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 7338792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).