1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(5-nitrofuran-2-carbonyl)azetidin-3-yl]methanone

C18H15N5O5 — CID 90511987

IUPAC1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(5-nitrofuran-2-carbonyl)azetidin-3-yl]methanone
SMILESO=C(c1ccc([N+](=O)[O-])o1)N1CC(C(=O)N2CCn3c2nc2ccccc23)C1
InChIInChI=1S/C18H15N5O5/c24-16(22-8-7-21-13-4-2-1-3-12(13)19-18(21)22)11-9-20(10-11)17(25)14-5-6-15(28-14)23(26)27/h1-6,11H,7-10H2
InChIKeyUEKMNFOCJZGFFL-UHFFFAOYSA-N
MW381.35 g/mol
LogP1.66
Rot. Bonds3

About 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(5-nitrofuran-2-carbonyl)azetidin-3-yl]methanone

1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(5-nitrofuran-2-carbonyl)azetidin-3-yl]methanone (PubChem CID 90511987) has the molecular formula C18H15N5O5 and a molecular weight of 381.35 g/mol. Its IUPAC name is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(5-nitrofuran-2-carbonyl)azetidin-3-yl]methanone.

Molecular Properties

Compound Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(5-nitrofuran-2-carbonyl)azetidin-3-yl]methanone
PubChem CID90511987
Molecular FormulaC18H15N5O5
Molecular Weight381.35 g/mol
Exact Mass381.11
IUPAC Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(5-nitrofuran-2-carbonyl)azetidin-3-yl]methanone
SMILESO=C(c1ccc([N+](=O)[O-])o1)N1CC(C(=O)N2CCn3c2nc2ccccc23)C1
InChIInChI=1S/C18H15N5O5/c24-16(22-8-7-21-13-4-2-1-3-12(13)19-18(21)22)11-9-20(10-11)17(25)14-5-6-15(28-14)23(26)27/h1-6,11H,7-10H2
InChIKeyUEKMNFOCJZGFFL-UHFFFAOYSA-N
XLogP1.66
TPSA114.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

azocan-1-yl-(5-nitrofuran-2-yl)methanone
CID 3312856
(2-methylpiperidin-1-yl)-[1-(5-nitrofuran-2-carbonyl)azetidin-3-yl]methanone
CID 90512014
[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 90603946
[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 34738091
1-(5-nitrofuran-2-carbonyl)-N-pyridin-3-ylazetidine-3-carboxamide
CID 90512210
[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-3-nitrophenyl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 166188422
[(3S)-3,4-dihydro-2H-[1,3]thiazino[3,2-a]benzimidazol-3-yl] 5-nitrofuran-2-carboxylate
CID 6926542
[1-(5-nitrofuran-2-carbonyl)azetidin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 90512251
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(5-nitrofuran-2-yl)methanone
CID 102679582
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
CID 90640278
1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)piperidin-1-yl]-2-phenoxyethanone
CID 112820521
1-(5-nitrofuran-2-carbonyl)-N-[2-(trifluoromethyl)phenyl]azetidine-3-carboxamide
CID 90512137

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(5-nitrofuran-2-carbonyl)azetidin-3-yl]methanone?
The IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(5-nitrofuran-2-carbonyl)azetidin-3-yl]methanone (CID 90511987) is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(5-nitrofuran-2-carbonyl)azetidin-3-yl]methanone.
What is the SMILES notation for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(5-nitrofuran-2-carbonyl)azetidin-3-yl]methanone?
The canonical SMILES for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(5-nitrofuran-2-carbonyl)azetidin-3-yl]methanone is O=C(c1ccc([N+](=O)[O-])o1)N1CC(C(=O)N2CCn3c2nc2ccccc23)C1.
What is the InChIKey of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(5-nitrofuran-2-carbonyl)azetidin-3-yl]methanone?
The InChIKey is UEKMNFOCJZGFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O5/c24-16(22-8-7-21-13-4-2-1-3-12(13)19-18(21)22)11-9-20(10-11)17(25)14-5-6-15(28-14)23(26)27/h1-6,11H,7-10H2.
What are the key properties of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(5-nitrofuran-2-carbonyl)azetidin-3-yl]methanone?
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(5-nitrofuran-2-carbonyl)azetidin-3-yl]methanone has a molecular weight of 381.35 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(5-nitrofuran-2-carbonyl)azetidin-3-yl]methanone is sourced from PubChem (CID 90511987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).