1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2,2-dimethylpropan-1-one

C14H17N3O — CID 975895

IUPAC1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCn2c1nc1ccccc12
InChIInChI=1S/C14H17N3O/c1-14(2,3)12(18)17-9-8-16-11-7-5-4-6-10(11)15-13(16)17/h4-7H,8-9H2,1-3H3
InChIKeyILSQAAAMAQJHCY-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.43
Rot. Bonds

About 1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2,2-dimethylpropan-1-one

1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2,2-dimethylpropan-1-one (PubChem CID 975895) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2,2-dimethylpropan-1-one
PubChem CID975895
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCn2c1nc1ccccc12
InChIInChI=1S/C14H17N3O/c1-14(2,3)12(18)17-9-8-16-11-7-5-4-6-10(11)15-13(16)17/h4-7H,8-9H2,1-3H3
InChIKeyILSQAAAMAQJHCY-UHFFFAOYSA-N
XLogP2.43
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-1H-1,3-benzodiazol-2-amine
CID 595193
5-Thia-2,7-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),6,8,10-tetraen-3-one
CID 234934
1-(1-Methyl-1H-benzimidazol-2-yl)ethanone
CID 799601
3-(1H-benzimidazol-1-yl)propanamide
CID 639428
2-methyl-3-propylpyrimido[1,2-a]benzimidazol-4(1H)-one
CID 703106
1-Ethyl-2-methylbenzimidazole
CID 22054
1-propyl-1H-1,3-benzodiazol-2-amine
CID 799602
PF-06284674
CID 71624854
2,3-Dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 82179
N-(1-heptylbenzimidazol-2-yl)propanamide
CID 3844957
1-(2-Dimethylamino-ethyl)-1H-benzoimidazol-2-ylamine
CID 745066
2-Carbamoyl-1-methylbenzimidazole
CID 600256

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2,2-dimethylpropan-1-one (CID 975895) is 1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCn2c1nc1ccccc12.
What is the InChIKey of 1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2,2-dimethylpropan-1-one?
The InChIKey is ILSQAAAMAQJHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(2,3)12(18)17-9-8-16-11-7-5-4-6-10(11)15-13(16)17/h4-7H,8-9H2,1-3H3.
What are the key properties of 1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2,2-dimethylpropan-1-one?
1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2,2-dimethylpropan-1-one has a molecular weight of 243.31 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 975895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).