3-(3-chloro-4-methylphenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propan-1-one

C19H18ClN3O — CID 36567964

IUPAC3-(3-chloro-4-methylphenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propan-1-one
SMILESCc1ccc(CCC(=O)N2CCn3c2nc2ccccc23)cc1Cl
InChIInChI=1S/C19H18ClN3O/c1-13-6-7-14(12-15(13)20)8-9-18(24)23-11-10-22-17-5-3-2-4-16(17)21-19(22)23/h2-7,12H,8-11H2,1H3
InChIKeyQJAJWUURESLCIA-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.98
Rot. Bonds3

About 3-(3-chloro-4-methylphenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propan-1-one

3-(3-chloro-4-methylphenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propan-1-one (PubChem CID 36567964) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propan-1-one
PubChem CID36567964
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name3-(3-chloro-4-methylphenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propan-1-one
SMILESCc1ccc(CCC(=O)N2CCn3c2nc2ccccc23)cc1Cl
InChIInChI=1S/C19H18ClN3O/c1-13-6-7-14(12-15(13)20)8-9-18(24)23-11-10-22-17-5-3-2-4-16(17)21-19(22)23/h2-7,12H,8-11H2,1H3
InChIKeyQJAJWUURESLCIA-UHFFFAOYSA-N
XLogP3.98
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propan-1-one?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propan-1-one (CID 36567964) is 3-(3-chloro-4-methylphenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propan-1-one.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propan-1-one?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propan-1-one is Cc1ccc(CCC(=O)N2CCn3c2nc2ccccc23)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propan-1-one?
The InChIKey is QJAJWUURESLCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-13-6-7-14(12-15(13)20)8-9-18(24)23-11-10-22-17-5-3-2-4-16(17)21-19(22)23/h2-7,12H,8-11H2,1H3.
What are the key properties of 3-(3-chloro-4-methylphenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propan-1-one?
3-(3-chloro-4-methylphenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propan-1-one has a molecular weight of 339.83 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propan-1-one is sourced from PubChem (CID 36567964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).