(5-butyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone

C18H19N3O2 — CID 13301155

IUPAC(5-butyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
SMILESCCCCc1cc(OC)nc2nc(C(=O)c3ccccc3)cn12
InChIInChI=1S/C18H19N3O2/c1-3-4-10-14-11-16(23-2)20-18-19-15(12-21(14)18)17(22)13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyIGYUGFNCGACURJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.31
Rot. Bonds6

About (5-butyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone

(5-butyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone (PubChem CID 13301155) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (5-butyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-butyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
PubChem CID13301155
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(5-butyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
SMILESCCCCc1cc(OC)nc2nc(C(=O)c3ccccc3)cn12
InChIInChI=1S/C18H19N3O2/c1-3-4-10-14-11-16(23-2)20-18-19-15(12-21(14)18)17(22)13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyIGYUGFNCGACURJ-UHFFFAOYSA-N
XLogP3.31
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Divaplon
CID 65822
N-[2-(4-methoxyphenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 675270
Aminoimidazo[1,2-a]pyridine deriv. 16
CID 5330616
Aminoimidazo[1,2-a]pyridine deriv. 38
CID 5330617
Aminoimidazo[1,2-a]pyridine deriv. 10
CID 5330632
2-Methyl-imidazo[1,2-a]pyridine-3-carboxylic acid 4-methoxy-benzylamide
CID 1073190
Methanone, (7-ethyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)phenyl-
CID 10314568
(5-Methoxy-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone
CID 10402951
(5-Methoxyimidazo[1,2-a]quinolin-2-yl)-phenylmethanone
CID 13055762
(5-Methoxy-7-methylimidazo[1,2-a]quinolin-2-yl)-phenylmethanone
CID 13055764
(7-Ethyl-5-methoxy-4-methylimidazo[1,2-a]quinolin-2-yl)-phenylmethanone
CID 13279132
(4,7-Diethyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)-phenylmethanone
CID 13279134

Frequently Asked Questions

What is the IUPAC name of (5-butyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The IUPAC name of (5-butyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone (CID 13301155) is (5-butyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone.
What is the SMILES notation for (5-butyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The canonical SMILES for (5-butyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone is CCCCc1cc(OC)nc2nc(C(=O)c3ccccc3)cn12.
What is the InChIKey of (5-butyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The InChIKey is IGYUGFNCGACURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-3-4-10-14-11-16(23-2)20-18-19-15(12-21(14)18)17(22)13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3.
What are the key properties of (5-butyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
(5-butyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone has a molecular weight of 309.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butyl-7-methoxyimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone is sourced from PubChem (CID 13301155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).