6-bromo-2-tert-butyl-1-[(2-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one

C18H19BrFN3O — CID 10982061

IUPAC6-bromo-2-tert-butyl-1-[(2-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one
SMILESCc1nc2n(Cc3ccccc3F)c(C(C)(C)C)cn2c(=O)c1Br
InChIInChI=1S/C18H19BrFN3O/c1-11-15(19)16(24)23-10-14(18(2,3)4)22(17(23)21-11)9-12-7-5-6-8-13(12)20/h5-8,10H,9H2,1-4H3
InChIKeyODMSZLMKQICSDH-UHFFFAOYSA-N
MW392.27 g/mol
LogP4.05
Rot. Bonds2

About 6-bromo-2-tert-butyl-1-[(2-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one

6-bromo-2-tert-butyl-1-[(2-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 10982061) has the molecular formula C18H19BrFN3O and a molecular weight of 392.27 g/mol. Its IUPAC name is 6-bromo-2-tert-butyl-1-[(2-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-bromo-2-tert-butyl-1-[(2-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one
PubChem CID10982061
Molecular FormulaC18H19BrFN3O
Molecular Weight392.27 g/mol
Exact Mass391.07
IUPAC Name6-bromo-2-tert-butyl-1-[(2-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one
SMILESCc1nc2n(Cc3ccccc3F)c(C(C)(C)C)cn2c(=O)c1Br
InChIInChI=1S/C18H19BrFN3O/c1-11-15(19)16(24)23-10-14(18(2,3)4)22(17(23)21-11)9-12-7-5-6-8-13(12)20/h5-8,10H,9H2,1-4H3
InChIKeyODMSZLMKQICSDH-UHFFFAOYSA-N
XLogP4.05
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.27
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-tert-butyl-1-[(2-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 6-bromo-2-tert-butyl-1-[(2-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one (CID 10982061) is 6-bromo-2-tert-butyl-1-[(2-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-bromo-2-tert-butyl-1-[(2-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 6-bromo-2-tert-butyl-1-[(2-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one is Cc1nc2n(Cc3ccccc3F)c(C(C)(C)C)cn2c(=O)c1Br.
What is the InChIKey of 6-bromo-2-tert-butyl-1-[(2-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is ODMSZLMKQICSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN3O/c1-11-15(19)16(24)23-10-14(18(2,3)4)22(17(23)21-11)9-12-7-5-6-8-13(12)20/h5-8,10H,9H2,1-4H3.
What are the key properties of 6-bromo-2-tert-butyl-1-[(2-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one?
6-bromo-2-tert-butyl-1-[(2-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 392.27 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-tert-butyl-1-[(2-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 10982061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).