3-[8-(cyclobutanecarbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile

C18H18N4O — CID 53183394

IUPAC3-[8-(cyclobutanecarbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2cn3c(n2)N(C(=O)C2CCC2)CCC3)c1
InChIInChI=1S/C18H18N4O/c19-11-13-4-1-7-15(10-13)16-12-21-8-3-9-22(18(21)20-16)17(23)14-5-2-6-14/h1,4,7,10,12,14H,2-3,5-6,8-9H2
InChIKeyHKLABBQQKUEGLZ-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.96
Rot. Bonds2

About 3-[8-(cyclobutanecarbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile

3-[8-(cyclobutanecarbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile (PubChem CID 53183394) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-[8-(cyclobutanecarbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[8-(cyclobutanecarbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile
PubChem CID53183394
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name3-[8-(cyclobutanecarbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2cn3c(n2)N(C(=O)C2CCC2)CCC3)c1
InChIInChI=1S/C18H18N4O/c19-11-13-4-1-7-15(10-13)16-12-21-8-3-9-22(18(21)20-16)17(23)14-5-2-6-14/h1,4,7,10,12,14H,2-3,5-6,8-9H2
InChIKeyHKLABBQQKUEGLZ-UHFFFAOYSA-N
XLogP2.96
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[8-(cyclobutanecarbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile?
The IUPAC name of 3-[8-(cyclobutanecarbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile (CID 53183394) is 3-[8-(cyclobutanecarbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile.
What is the SMILES notation for 3-[8-(cyclobutanecarbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile?
The canonical SMILES for 3-[8-(cyclobutanecarbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile is N#Cc1cccc(-c2cn3c(n2)N(C(=O)C2CCC2)CCC3)c1.
What is the InChIKey of 3-[8-(cyclobutanecarbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile?
The InChIKey is HKLABBQQKUEGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c19-11-13-4-1-7-15(10-13)16-12-21-8-3-9-22(18(21)20-16)17(23)14-5-2-6-14/h1,4,7,10,12,14H,2-3,5-6,8-9H2.
What are the key properties of 3-[8-(cyclobutanecarbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile?
3-[8-(cyclobutanecarbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile has a molecular weight of 306.37 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(cyclobutanecarbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile is sourced from PubChem (CID 53183394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).