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

C20H17ClN4 — CID 20952820

IUPAC2-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrimidin-3-amine
SMILESCc1ccc(CNc2c(-c3cccc(Cl)c3)nc3ncccn23)cc1
InChIInChI=1S/C20H17ClN4/c1-14-6-8-15(9-7-14)13-23-19-18(16-4-2-5-17(21)12-16)24-20-22-10-3-11-25(19)20/h2-12,23H,13H2,1H3
InChIKeyXTYWQHSPMPWRNC-UHFFFAOYSA-N
MW348.84 g/mol
LogP4.97
Rot. Bonds4

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

2-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrimidin-3-amine (PubChem CID 20952820) has the molecular formula C20H17ClN4 and a molecular weight of 348.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrimidin-3-amine
PubChem CID20952820
Molecular FormulaC20H17ClN4
Molecular Weight348.84 g/mol
Exact Mass348.11
IUPAC Name2-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrimidin-3-amine
SMILESCc1ccc(CNc2c(-c3cccc(Cl)c3)nc3ncccn23)cc1
InChIInChI=1S/C20H17ClN4/c1-14-6-8-15(9-7-14)13-23-19-18(16-4-2-5-17(21)12-16)24-20-22-10-3-11-25(19)20/h2-12,23H,13H2,1H3
InChIKeyXTYWQHSPMPWRNC-UHFFFAOYSA-N
XLogP4.97
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.84
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrimidin-3-amine (CID 20952820) is 2-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrimidin-3-amine is Cc1ccc(CNc2c(-c3cccc(Cl)c3)nc3ncccn23)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is XTYWQHSPMPWRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4/c1-14-6-8-15(9-7-14)13-23-19-18(16-4-2-5-17(21)12-16)24-20-22-10-3-11-25(19)20/h2-12,23H,13H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrimidin-3-amine?
2-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 348.84 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 20952820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).