[2-methyl-5-(1-methylbenzimidazol-2-yl)furan-3-yl]-phenylmethanone

C20H16N2O2 — CID 874125

IUPAC[2-methyl-5-(1-methylbenzimidazol-2-yl)furan-3-yl]-phenylmethanone
SMILESCc1oc(-c2nc3ccccc3n2C)cc1C(=O)c1ccccc1
InChIInChI=1S/C20H16N2O2/c1-13-15(19(23)14-8-4-3-5-9-14)12-18(24-13)20-21-16-10-6-7-11-17(16)22(20)2/h3-12H,1-2H3
InChIKeyVMGGAACDBHAIPL-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.37
Rot. Bonds3

About [2-methyl-5-(1-methylbenzimidazol-2-yl)furan-3-yl]-phenylmethanone

[2-methyl-5-(1-methylbenzimidazol-2-yl)furan-3-yl]-phenylmethanone (PubChem CID 874125) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is [2-methyl-5-(1-methylbenzimidazol-2-yl)furan-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-methyl-5-(1-methylbenzimidazol-2-yl)furan-3-yl]-phenylmethanone
PubChem CID874125
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name[2-methyl-5-(1-methylbenzimidazol-2-yl)furan-3-yl]-phenylmethanone
SMILESCc1oc(-c2nc3ccccc3n2C)cc1C(=O)c1ccccc1
InChIInChI=1S/C20H16N2O2/c1-13-15(19(23)14-8-4-3-5-9-14)12-18(24-13)20-21-16-10-6-7-11-17(16)22(20)2/h3-12H,1-2H3
InChIKeyVMGGAACDBHAIPL-UHFFFAOYSA-N
XLogP4.37
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(1-methylbenzimidazol-2-yl)furan-3-yl]-phenylmethanone?
The IUPAC name of [2-methyl-5-(1-methylbenzimidazol-2-yl)furan-3-yl]-phenylmethanone (CID 874125) is [2-methyl-5-(1-methylbenzimidazol-2-yl)furan-3-yl]-phenylmethanone.
What is the SMILES notation for [2-methyl-5-(1-methylbenzimidazol-2-yl)furan-3-yl]-phenylmethanone?
The canonical SMILES for [2-methyl-5-(1-methylbenzimidazol-2-yl)furan-3-yl]-phenylmethanone is Cc1oc(-c2nc3ccccc3n2C)cc1C(=O)c1ccccc1.
What is the InChIKey of [2-methyl-5-(1-methylbenzimidazol-2-yl)furan-3-yl]-phenylmethanone?
The InChIKey is VMGGAACDBHAIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-13-15(19(23)14-8-4-3-5-9-14)12-18(24-13)20-21-16-10-6-7-11-17(16)22(20)2/h3-12H,1-2H3.
What are the key properties of [2-methyl-5-(1-methylbenzimidazol-2-yl)furan-3-yl]-phenylmethanone?
[2-methyl-5-(1-methylbenzimidazol-2-yl)furan-3-yl]-phenylmethanone has a molecular weight of 316.36 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(1-methylbenzimidazol-2-yl)furan-3-yl]-phenylmethanone is sourced from PubChem (CID 874125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).