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

C19H15ClN4 — CID 7338215

IUPACN-(4-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine
SMILESCc1ccc(-c2nc3ncccn3c2Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H15ClN4/c1-13-3-5-14(6-4-13)17-18(22-16-9-7-15(20)8-10-16)24-12-2-11-21-19(24)23-17/h2-12,22H,1H3
InChIKeyZNNOBPRLHARMGT-UHFFFAOYSA-N
MW334.81 g/mol
LogP5.10
Rot. Bonds3

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

N-(4-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine (PubChem CID 7338215) has the molecular formula C19H15ClN4 and a molecular weight of 334.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine
PubChem CID7338215
Molecular FormulaC19H15ClN4
Molecular Weight334.81 g/mol
Exact Mass334.10
IUPAC NameN-(4-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine
SMILESCc1ccc(-c2nc3ncccn3c2Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H15ClN4/c1-13-3-5-14(6-4-13)17-18(22-16-9-7-15(20)8-10-16)24-12-2-11-21-19(24)23-17/h2-12,22H,1H3
InChIKeyZNNOBPRLHARMGT-UHFFFAOYSA-N
XLogP5.10
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.81
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of N-(4-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine (CID 7338215) is N-(4-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for N-(4-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for N-(4-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine is Cc1ccc(-c2nc3ncccn3c2Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is ZNNOBPRLHARMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4/c1-13-3-5-14(6-4-13)17-18(22-16-9-7-15(20)8-10-16)24-12-2-11-21-19(24)23-17/h2-12,22H,1H3.
What are the key properties of N-(4-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine?
N-(4-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 334.81 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 7338215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).