benzimidazol-1-yl-(3-methyl-1-benzofuran-2-yl)methanone

C17H12N2O2 — CID 2145419

IUPACbenzimidazol-1-yl-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)n2cnc3ccccc32)oc2ccccc12
InChIInChI=1S/C17H12N2O2/c1-11-12-6-2-5-9-15(12)21-16(11)17(20)19-10-18-13-7-3-4-8-14(13)19/h2-10H,1H3
InChIKeyRIAZWFMAUJHEGA-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.78
Rot. Bonds1

About benzimidazol-1-yl-(3-methyl-1-benzofuran-2-yl)methanone

benzimidazol-1-yl-(3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 2145419) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is benzimidazol-1-yl-(3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Namebenzimidazol-1-yl-(3-methyl-1-benzofuran-2-yl)methanone
PubChem CID2145419
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Namebenzimidazol-1-yl-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)n2cnc3ccccc32)oc2ccccc12
InChIInChI=1S/C17H12N2O2/c1-11-12-6-2-5-9-15(12)21-16(11)17(20)19-10-18-13-7-3-4-8-14(13)19/h2-10H,1H3
InChIKeyRIAZWFMAUJHEGA-UHFFFAOYSA-N
XLogP3.78
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzimidazol-1-yl-(3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of benzimidazol-1-yl-(3-methyl-1-benzofuran-2-yl)methanone (CID 2145419) is benzimidazol-1-yl-(3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for benzimidazol-1-yl-(3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for benzimidazol-1-yl-(3-methyl-1-benzofuran-2-yl)methanone is Cc1c(C(=O)n2cnc3ccccc32)oc2ccccc12.
What is the InChIKey of benzimidazol-1-yl-(3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is RIAZWFMAUJHEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c1-11-12-6-2-5-9-15(12)21-16(11)17(20)19-10-18-13-7-3-4-8-14(13)19/h2-10H,1H3.
What are the key properties of benzimidazol-1-yl-(3-methyl-1-benzofuran-2-yl)methanone?
benzimidazol-1-yl-(3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 276.30 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzimidazol-1-yl-(3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 2145419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).