(2-chlorophenyl)-(6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone

C17H16ClN3O2 — CID 13304953

IUPAC(2-chlorophenyl)-(6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone
SMILESCCc1c(OC)nc2nc(C(=O)c3ccccc3Cl)cn2c1C
InChIInChI=1S/C17H16ClN3O2/c1-4-11-10(2)21-9-14(19-17(21)20-16(11)23-3)15(22)12-7-5-6-8-13(12)18/h5-9H,4H2,1-3H3
InChIKeyFJQOPXCSNQETTG-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.49
Rot. Bonds4

About (2-chlorophenyl)-(6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone

(2-chlorophenyl)-(6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone (PubChem CID 13304953) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is (2-chlorophenyl)-(6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone
PubChem CID13304953
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name(2-chlorophenyl)-(6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone
SMILESCCc1c(OC)nc2nc(C(=O)c3ccccc3Cl)cn2c1C
InChIInChI=1S/C17H16ClN3O2/c1-4-11-10(2)21-9-14(19-17(21)20-16(11)23-3)15(22)12-7-5-6-8-13(12)18/h5-9H,4H2,1-3H3
InChIKeyFJQOPXCSNQETTG-UHFFFAOYSA-N
XLogP3.49
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone (CID 13304953) is (2-chlorophenyl)-(6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone is CCc1c(OC)nc2nc(C(=O)c3ccccc3Cl)cn2c1C.
What is the InChIKey of (2-chlorophenyl)-(6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone?
The InChIKey is FJQOPXCSNQETTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-4-11-10(2)21-9-14(19-17(21)20-16(11)23-3)15(22)12-7-5-6-8-13(12)18/h5-9H,4H2,1-3H3.
What are the key properties of (2-chlorophenyl)-(6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone?
(2-chlorophenyl)-(6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone has a molecular weight of 329.79 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 13304953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).