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

C12H9N3O2 — CID 1088436

IUPAC(2-aminobenzimidazol-1-yl)-(furan-2-yl)methanone
SMILESNc1nc2ccccc2n1C(=O)c1ccco1
InChIInChI=1S/C12H9N3O2/c13-12-14-8-4-1-2-5-9(8)15(12)11(16)10-6-3-7-17-10/h1-7H,(H2,13,14)
InChIKeyTWGNJPCDRPOIHZ-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.90
Rot. Bonds1

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

(2-aminobenzimidazol-1-yl)-(furan-2-yl)methanone (PubChem CID 1088436) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is (2-aminobenzimidazol-1-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(2-aminobenzimidazol-1-yl)-(furan-2-yl)methanone
PubChem CID1088436
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name(2-aminobenzimidazol-1-yl)-(furan-2-yl)methanone
SMILESNc1nc2ccccc2n1C(=O)c1ccco1
InChIInChI=1S/C12H9N3O2/c13-12-14-8-4-1-2-5-9(8)15(12)11(16)10-6-3-7-17-10/h1-7H,(H2,13,14)
InChIKeyTWGNJPCDRPOIHZ-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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Frequently Asked Questions

What is the IUPAC name of (2-aminobenzimidazol-1-yl)-(furan-2-yl)methanone?
The IUPAC name of (2-aminobenzimidazol-1-yl)-(furan-2-yl)methanone (CID 1088436) is (2-aminobenzimidazol-1-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (2-aminobenzimidazol-1-yl)-(furan-2-yl)methanone?
The canonical SMILES for (2-aminobenzimidazol-1-yl)-(furan-2-yl)methanone is Nc1nc2ccccc2n1C(=O)c1ccco1.
What is the InChIKey of (2-aminobenzimidazol-1-yl)-(furan-2-yl)methanone?
The InChIKey is TWGNJPCDRPOIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c13-12-14-8-4-1-2-5-9(8)15(12)11(16)10-6-3-7-17-10/h1-7H,(H2,13,14).
What are the key properties of (2-aminobenzimidazol-1-yl)-(furan-2-yl)methanone?
(2-aminobenzimidazol-1-yl)-(furan-2-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 (2-aminobenzimidazol-1-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 1088436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).