2-(furan-2-yl)-3,7-dimethylimidazo[4,5-f]benzimidazole

C14H12N4O — CID 12035825

IUPAC2-(furan-2-yl)-3,7-dimethylimidazo[4,5-f]benzimidazole
SMILESCn1cnc2cc3c(cc21)nc(-c1ccco1)n3C
InChIInChI=1S/C14H12N4O/c1-17-8-15-9-6-12-10(7-11(9)17)16-14(18(12)2)13-4-3-5-19-13/h3-8H,1-2H3
InChIKeyGKUMFDKJNSVHPR-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.72
Rot. Bonds1

About 2-(furan-2-yl)-3,7-dimethylimidazo[4,5-f]benzimidazole

2-(furan-2-yl)-3,7-dimethylimidazo[4,5-f]benzimidazole (PubChem CID 12035825) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-(furan-2-yl)-3,7-dimethylimidazo[4,5-f]benzimidazole.

Molecular Properties

Compound Name2-(furan-2-yl)-3,7-dimethylimidazo[4,5-f]benzimidazole
PubChem CID12035825
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-(furan-2-yl)-3,7-dimethylimidazo[4,5-f]benzimidazole
SMILESCn1cnc2cc3c(cc21)nc(-c1ccco1)n3C
InChIInChI=1S/C14H12N4O/c1-17-8-15-9-6-12-10(7-11(9)17)16-14(18(12)2)13-4-3-5-19-13/h3-8H,1-2H3
InChIKeyGKUMFDKJNSVHPR-UHFFFAOYSA-N
XLogP2.72
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.72
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)-3,7-dimethylimidazo[4,5-f]benzimidazole?
The IUPAC name of 2-(furan-2-yl)-3,7-dimethylimidazo[4,5-f]benzimidazole (CID 12035825) is 2-(furan-2-yl)-3,7-dimethylimidazo[4,5-f]benzimidazole.
What is the SMILES notation for 2-(furan-2-yl)-3,7-dimethylimidazo[4,5-f]benzimidazole?
The canonical SMILES for 2-(furan-2-yl)-3,7-dimethylimidazo[4,5-f]benzimidazole is Cn1cnc2cc3c(cc21)nc(-c1ccco1)n3C.
What is the InChIKey of 2-(furan-2-yl)-3,7-dimethylimidazo[4,5-f]benzimidazole?
The InChIKey is GKUMFDKJNSVHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-17-8-15-9-6-12-10(7-11(9)17)16-14(18(12)2)13-4-3-5-19-13/h3-8H,1-2H3.
What are the key properties of 2-(furan-2-yl)-3,7-dimethylimidazo[4,5-f]benzimidazole?
2-(furan-2-yl)-3,7-dimethylimidazo[4,5-f]benzimidazole has a molecular weight of 252.28 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3,7-dimethylimidazo[4,5-f]benzimidazole is sourced from PubChem (CID 12035825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).