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

C18H17N3O3 — CID 1086695

IUPAC1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1OC
InChIInChI=1S/C18H17N3O3/c1-23-15-8-7-12(11-16(15)24-2)17(22)21-10-9-20-14-6-4-3-5-13(14)19-18(20)21/h3-8,11H,9-10H2,1-2H3
InChIKeySBDKEHXCQQBLDM-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.71
Rot. Bonds3

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

1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(3,4-dimethoxyphenyl)methanone (PubChem CID 1086695) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(3,4-dimethoxyphenyl)methanone
PubChem CID1086695
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1OC
InChIInChI=1S/C18H17N3O3/c1-23-15-8-7-12(11-16(15)24-2)17(22)21-10-9-20-14-6-4-3-5-13(14)19-18(20)21/h3-8,11H,9-10H2,1-2H3
InChIKeySBDKEHXCQQBLDM-UHFFFAOYSA-N
XLogP2.71
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(3,4-dimethoxyphenyl)methanone (CID 1086695) is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(3,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1OC.
What is the InChIKey of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(3,4-dimethoxyphenyl)methanone?
The InChIKey is SBDKEHXCQQBLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-23-15-8-7-12(11-16(15)24-2)17(22)21-10-9-20-14-6-4-3-5-13(14)19-18(20)21/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(3,4-dimethoxyphenyl)methanone?
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(3,4-dimethoxyphenyl)methanone has a molecular weight of 323.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 1086695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).