1-(4-chlorophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone

C17H14ClN3O — CID 23847688

IUPAC1-(4-chlorophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone
SMILESO=C(CN1CCn2c1nc1ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3O/c18-13-7-5-12(6-8-13)16(22)11-20-9-10-21-15-4-2-1-3-14(15)19-17(20)21/h1-8H,9-11H2
InChIKeySWQWTVIKTDUZFJ-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.39
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone

1-(4-chlorophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone (PubChem CID 23847688) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone
PubChem CID23847688
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name1-(4-chlorophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone
SMILESO=C(CN1CCn2c1nc1ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3O/c18-13-7-5-12(6-8-13)16(22)11-20-9-10-21-15-4-2-1-3-14(15)19-17(20)21/h1-8H,9-11H2
InChIKeySWQWTVIKTDUZFJ-UHFFFAOYSA-N
XLogP3.39
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone (CID 23847688) is 1-(4-chlorophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone is O=C(CN1CCn2c1nc1ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone?
The InChIKey is SWQWTVIKTDUZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-13-7-5-12(6-8-13)16(22)11-20-9-10-21-15-4-2-1-3-14(15)19-17(20)21/h1-8H,9-11H2.
What are the key properties of 1-(4-chlorophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone?
1-(4-chlorophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone has a molecular weight of 311.77 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone is sourced from PubChem (CID 23847688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).