7-(furan-2-yl)-3-methyl-4-pentan-3-yl-1H-benzimidazol-2-one

C17H20N2O2 — CID 67273399

IUPAC7-(furan-2-yl)-3-methyl-4-pentan-3-yl-1H-benzimidazol-2-one
SMILESCCC(CC)c1ccc(-c2ccco2)c2[nH]c(=O)n(C)c12
InChIInChI=1S/C17H20N2O2/c1-4-11(5-2)12-8-9-13(14-7-6-10-21-14)15-16(12)19(3)17(20)18-15/h6-11H,4-5H2,1-3H3,(H,18,20)
InChIKeyHOCJVXMQXWWJAX-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.03
Rot. Bonds4

About 7-(furan-2-yl)-3-methyl-4-pentan-3-yl-1H-benzimidazol-2-one

7-(furan-2-yl)-3-methyl-4-pentan-3-yl-1H-benzimidazol-2-one (PubChem CID 67273399) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 7-(furan-2-yl)-3-methyl-4-pentan-3-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name7-(furan-2-yl)-3-methyl-4-pentan-3-yl-1H-benzimidazol-2-one
PubChem CID67273399
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name7-(furan-2-yl)-3-methyl-4-pentan-3-yl-1H-benzimidazol-2-one
SMILESCCC(CC)c1ccc(-c2ccco2)c2[nH]c(=O)n(C)c12
InChIInChI=1S/C17H20N2O2/c1-4-11(5-2)12-8-9-13(14-7-6-10-21-14)15-16(12)19(3)17(20)18-15/h6-11H,4-5H2,1-3H3,(H,18,20)
InChIKeyHOCJVXMQXWWJAX-UHFFFAOYSA-N
XLogP4.03
TPSA50.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-3-methyl-4-pentan-3-yl-1H-benzimidazol-2-one?
The IUPAC name of 7-(furan-2-yl)-3-methyl-4-pentan-3-yl-1H-benzimidazol-2-one (CID 67273399) is 7-(furan-2-yl)-3-methyl-4-pentan-3-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 7-(furan-2-yl)-3-methyl-4-pentan-3-yl-1H-benzimidazol-2-one?
The canonical SMILES for 7-(furan-2-yl)-3-methyl-4-pentan-3-yl-1H-benzimidazol-2-one is CCC(CC)c1ccc(-c2ccco2)c2[nH]c(=O)n(C)c12.
What is the InChIKey of 7-(furan-2-yl)-3-methyl-4-pentan-3-yl-1H-benzimidazol-2-one?
The InChIKey is HOCJVXMQXWWJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-4-11(5-2)12-8-9-13(14-7-6-10-21-14)15-16(12)19(3)17(20)18-15/h6-11H,4-5H2,1-3H3,(H,18,20).
What are the key properties of 7-(furan-2-yl)-3-methyl-4-pentan-3-yl-1H-benzimidazol-2-one?
7-(furan-2-yl)-3-methyl-4-pentan-3-yl-1H-benzimidazol-2-one has a molecular weight of 284.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-3-methyl-4-pentan-3-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 67273399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).