4-[3-(4-chloroanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol

C18H13ClN4O — CID 3687610

IUPAC4-[3-(4-chloroanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol
SMILESOc1ccc(-c2nc3ncccn3c2Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H13ClN4O/c19-13-4-6-14(7-5-13)21-17-16(12-2-8-15(24)9-3-12)22-18-20-10-1-11-23(17)18/h1-11,21,24H
InChIKeyDVVWADCFBPDNPL-UHFFFAOYSA-N
MW336.78 g/mol
LogP4.50
Rot. Bonds3

About 4-[3-(4-chloroanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol

4-[3-(4-chloroanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol (PubChem CID 3687610) has the molecular formula C18H13ClN4O and a molecular weight of 336.78 g/mol. Its IUPAC name is 4-[3-(4-chloroanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[3-(4-chloroanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol
PubChem CID3687610
Molecular FormulaC18H13ClN4O
Molecular Weight336.78 g/mol
Exact Mass336.08
IUPAC Name4-[3-(4-chloroanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol
SMILESOc1ccc(-c2nc3ncccn3c2Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H13ClN4O/c19-13-4-6-14(7-5-13)21-17-16(12-2-8-15(24)9-3-12)22-18-20-10-1-11-23(17)18/h1-11,21,24H
InChIKeyDVVWADCFBPDNPL-UHFFFAOYSA-N
XLogP4.50
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chloroanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol?
The IUPAC name of 4-[3-(4-chloroanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol (CID 3687610) is 4-[3-(4-chloroanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[3-(4-chloroanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol?
The canonical SMILES for 4-[3-(4-chloroanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol is Oc1ccc(-c2nc3ncccn3c2Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[3-(4-chloroanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol?
The InChIKey is DVVWADCFBPDNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O/c19-13-4-6-14(7-5-13)21-17-16(12-2-8-15(24)9-3-12)22-18-20-10-1-11-23(17)18/h1-11,21,24H.
What are the key properties of 4-[3-(4-chloroanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol?
4-[3-(4-chloroanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol has a molecular weight of 336.78 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chloroanilino)imidazo[1,2-a]pyrimidin-2-yl]phenol is sourced from PubChem (CID 3687610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).