[2-(furan-2-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone

C19H14N2O3 — CID 662951

IUPAC[2-(furan-2-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2c(-c3ccco3)nc3ccccc32)cc1
InChIInChI=1S/C19H14N2O3/c1-23-14-10-8-13(9-11-14)19(22)21-16-6-3-2-5-15(16)20-18(21)17-7-4-12-24-17/h2-12H,1H3
InChIKeyFDVMFTDCISRZTK-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.99
Rot. Bonds3

About [2-(furan-2-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone

[2-(furan-2-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 662951) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is [2-(furan-2-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(furan-2-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone
PubChem CID662951
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name[2-(furan-2-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2c(-c3ccco3)nc3ccccc32)cc1
InChIInChI=1S/C19H14N2O3/c1-23-14-10-8-13(9-11-14)19(22)21-16-6-3-2-5-15(16)20-18(21)17-7-4-12-24-17/h2-12H,1H3
InChIKeyFDVMFTDCISRZTK-UHFFFAOYSA-N
XLogP3.99
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [2-(furan-2-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone (CID 662951) is [2-(furan-2-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [2-(furan-2-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [2-(furan-2-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)n2c(-c3ccco3)nc3ccccc32)cc1.
What is the InChIKey of [2-(furan-2-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is FDVMFTDCISRZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-23-14-10-8-13(9-11-14)19(22)21-16-6-3-2-5-15(16)20-18(21)17-7-4-12-24-17/h2-12H,1H3.
What are the key properties of [2-(furan-2-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone?
[2-(furan-2-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 318.33 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 662951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).