1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-ethoxyphenyl)methanone

C18H17N3O2 — CID 1086697

IUPAC1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1
InChIInChI=1S/C18H17N3O2/c1-2-23-14-9-7-13(8-10-14)17(22)21-12-11-20-16-6-4-3-5-15(16)19-18(20)21/h3-10H,2,11-12H2,1H3
InChIKeyIZRIJZIALGZHAL-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.10
Rot. Bonds3

About 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-ethoxyphenyl)methanone

1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-ethoxyphenyl)methanone (PubChem CID 1086697) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-ethoxyphenyl)methanone
PubChem CID1086697
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1
InChIInChI=1S/C18H17N3O2/c1-2-23-14-9-7-13(8-10-14)17(22)21-12-11-20-16-6-4-3-5-15(16)19-18(20)21/h3-10H,2,11-12H2,1H3
InChIKeyIZRIJZIALGZHAL-UHFFFAOYSA-N
XLogP3.10
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benzoimidazol-1-YL-(4-methoxy-phenyl)-methanone
CID 710646
Mchb-1
CID 44561533
N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 3159995
2-{4-[3-(dimethylamino)propoxy]phenyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one
CID 10292240
N-1H-Benzimidazol-2-yl-4-methoxybenzamide
CID 2081294
Ketone, 1-(2-(diethylamino)ethyl)-2-(p-ethoxybenzyl)-5-benzimidazolyl methyl
CID 25957
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-4-methoxybenzamide
CID 25190504
1-benzyl-4-{1-[2-(4-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one
CID 4754175
2-(4-ethoxybenzyl)-1-(cyclopentylmethyl)-N,N-diethyl-1H-benzo[d]imidazole-5-carboxamide
CID 24863434
2-(4-ethoxybenzyl)-N,N-diethyl-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazole-5-carboxamide
CID 44561005
N-(1H-benzimidazol-2-yl)-4-propan-2-yloxybenzamide
CID 2583506
1-{4-[2-(1H-benzimidazol-1-yl)ethoxy]phenyl}-1-propanone hydrochloride
CID 2965954

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-ethoxyphenyl)methanone?
The IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-ethoxyphenyl)methanone (CID 1086697) is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-ethoxyphenyl)methanone.
What is the SMILES notation for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-ethoxyphenyl)methanone?
The canonical SMILES for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1.
What is the InChIKey of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-ethoxyphenyl)methanone?
The InChIKey is IZRIJZIALGZHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-23-14-9-7-13(8-10-14)17(22)21-12-11-20-16-6-4-3-5-15(16)19-18(20)21/h3-10H,2,11-12H2,1H3.
What are the key properties of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-ethoxyphenyl)methanone?
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-ethoxyphenyl)methanone has a molecular weight of 307.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 1086697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).