(5-aminofuran-2-yl)-(benzimidazol-1-yl)methanone

C12H9N3O2 — CID 82344378

IUPAC(5-aminofuran-2-yl)-(benzimidazol-1-yl)methanone
SMILESNc1ccc(C(=O)n2cnc3ccccc32)o1
InChIInChI=1S/C12H9N3O2/c13-11-6-5-10(17-11)12(16)15-7-14-8-3-1-2-4-9(8)15/h1-7H,13H2
InChIKeyXLVKYRGMWNVTOP-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.90
Rot. Bonds1

About (5-aminofuran-2-yl)-(benzimidazol-1-yl)methanone

(5-aminofuran-2-yl)-(benzimidazol-1-yl)methanone (PubChem CID 82344378) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is (5-aminofuran-2-yl)-(benzimidazol-1-yl)methanone.

Molecular Properties

Compound Name(5-aminofuran-2-yl)-(benzimidazol-1-yl)methanone
PubChem CID82344378
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name(5-aminofuran-2-yl)-(benzimidazol-1-yl)methanone
SMILESNc1ccc(C(=O)n2cnc3ccccc32)o1
InChIInChI=1S/C12H9N3O2/c13-11-6-5-10(17-11)12(16)15-7-14-8-3-1-2-4-9(8)15/h1-7H,13H2
InChIKeyXLVKYRGMWNVTOP-UHFFFAOYSA-N
XLogP1.90
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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bromomethyl benzimidazole-1-carboxylate
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benzimidazol-1-yl(1,3-thiazol-4-yl)methanone
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(3-amino-4-methoxyphenyl)-(benzimidazol-1-yl)methanone
CID 110468877
benzimidazol-1-yl-(3,4-dimethylphenyl)methanone
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1-(benzimidazol-1-yl)-3-phenylpropan-1-one
CID 4630006
5-[2-(benzimidazole-1-carbonyl)phenyl]furan-2-carbaldehyde
CID 169332261
1-[1-(benzimidazol-1-yl)-2-bromo-2-chloroethenyl]benzimidazole
CID 657893
N-phenylbenzimidazole-1-carboxamide
CID 13125705
1-(benzimidazol-1-yl)-2-(methylamino)ethanone
CID 110460341
1-(benzimidazol-1-yl)-2-[[2-(benzimidazol-1-yl)-2-oxoethyl]sulfanylmethylsulfanyl]ethanone
CID 3845970

Frequently Asked Questions

What is the IUPAC name of (5-aminofuran-2-yl)-(benzimidazol-1-yl)methanone?
The IUPAC name of (5-aminofuran-2-yl)-(benzimidazol-1-yl)methanone (CID 82344378) is (5-aminofuran-2-yl)-(benzimidazol-1-yl)methanone.
What is the SMILES notation for (5-aminofuran-2-yl)-(benzimidazol-1-yl)methanone?
The canonical SMILES for (5-aminofuran-2-yl)-(benzimidazol-1-yl)methanone is Nc1ccc(C(=O)n2cnc3ccccc32)o1.
What is the InChIKey of (5-aminofuran-2-yl)-(benzimidazol-1-yl)methanone?
The InChIKey is XLVKYRGMWNVTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c13-11-6-5-10(17-11)12(16)15-7-14-8-3-1-2-4-9(8)15/h1-7H,13H2.
What are the key properties of (5-aminofuran-2-yl)-(benzimidazol-1-yl)methanone?
(5-aminofuran-2-yl)-(benzimidazol-1-yl)methanone has a molecular weight of 227.22 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminofuran-2-yl)-(benzimidazol-1-yl)methanone is sourced from PubChem (CID 82344378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).