(2-aminobenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone

C16H11N3O2 — CID 112528084

IUPAC(2-aminobenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone
SMILESNc1nc2ccccc2n1C(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H11N3O2/c17-16-18-11-6-2-3-7-12(11)19(16)15(20)14-9-10-5-1-4-8-13(10)21-14/h1-9H,(H2,17,18)
InChIKeyAOBSMLGFUJMSTP-UHFFFAOYSA-N
MW277.28 g/mol
LogP3.05
Rot. Bonds1

About (2-aminobenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone

(2-aminobenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone (PubChem CID 112528084) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is (2-aminobenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(2-aminobenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone
PubChem CID112528084
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name(2-aminobenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone
SMILESNc1nc2ccccc2n1C(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H11N3O2/c17-16-18-11-6-2-3-7-12(11)19(16)15(20)14-9-10-5-1-4-8-13(10)21-14/h1-9H,(H2,17,18)
InChIKeyAOBSMLGFUJMSTP-UHFFFAOYSA-N
XLogP3.05
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-amino-2-methylbenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone
CID 112527679
(2-aminobenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 112528001
1-(2-aminobenzimidazol-1-yl)-2,2-dimethylpropan-1-one
CID 87845510
N-[(1-methylbenzimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 126797185
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
CID 63755277
1-(1-benzofuran-2-yl)ethanone
CID 15435
1-(2-aminobenzimidazol-1-yl)hexa-2,4-dien-1-one
CID 54137227
2-amino-N-ethylbenzimidazole-1-carboxamide
CID 12526522
1-benzofuran-2-carboxamide;hydrate;dihydrochloride
CID 144595737
1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707484
1-benzofuran-2-yl-(5-hydroxy-1-benzofuran-2-yl)methanone
CID 58035506

Frequently Asked Questions

What is the IUPAC name of (2-aminobenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone?
The IUPAC name of (2-aminobenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone (CID 112528084) is (2-aminobenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone.
What is the SMILES notation for (2-aminobenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone?
The canonical SMILES for (2-aminobenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone is Nc1nc2ccccc2n1C(=O)c1cc2ccccc2o1.
What is the InChIKey of (2-aminobenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone?
The InChIKey is AOBSMLGFUJMSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c17-16-18-11-6-2-3-7-12(11)19(16)15(20)14-9-10-5-1-4-8-13(10)21-14/h1-9H,(H2,17,18).
What are the key properties of (2-aminobenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone?
(2-aminobenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone has a molecular weight of 277.28 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminobenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone is sourced from PubChem (CID 112528084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).