6-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one

C19H24N4O2 — CID 53065745

IUPAC6-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCC(C)n1c(=O)[nH]c2cc(-c3noc(CCC4CCCC4)n3)ccc21
InChIInChI=1S/C19H24N4O2/c1-12(2)23-16-9-8-14(11-15(16)20-19(23)24)18-21-17(25-22-18)10-7-13-5-3-4-6-13/h8-9,11-13H,3-7,10H2,1-2H3,(H,20,24)
InChIKeyAEXMQQNTXGWJHT-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.08
Rot. Bonds5

About 6-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one

6-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one (PubChem CID 53065745) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 6-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
PubChem CID53065745
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name6-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCC(C)n1c(=O)[nH]c2cc(-c3noc(CCC4CCCC4)n3)ccc21
InChIInChI=1S/C19H24N4O2/c1-12(2)23-16-9-8-14(11-15(16)20-19(23)24)18-21-17(25-22-18)10-7-13-5-3-4-6-13/h8-9,11-13H,3-7,10H2,1-2H3,(H,20,24)
InChIKeyAEXMQQNTXGWJHT-UHFFFAOYSA-N
XLogP4.08
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one with MolForge

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Related Compounds

6-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 53065761
6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 53005998
3-propan-2-yl-6-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one
CID 53065755
6-[5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 53065747
7-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-propan-2-yl-1H-quinoxaline-2,3-dione
CID 53005960
methyl 1-cyclopentyl-2-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzimidazole-5-carboxylate
CID 102406174
N-[(1R)-2-methyl-1-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide
CID 97043382
N-[[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53065853
4-methyl-N-[2-methyl-1-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]benzenesulfonamide
CID 53065731
N-[4-[3-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 53065740
5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8895516
5-(2-cyclopropylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 162262506

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one?
The IUPAC name of 6-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one (CID 53065745) is 6-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one?
The canonical SMILES for 6-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one is CC(C)n1c(=O)[nH]c2cc(-c3noc(CCC4CCCC4)n3)ccc21.
What is the InChIKey of 6-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one?
The InChIKey is AEXMQQNTXGWJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12(2)23-16-9-8-14(11-15(16)20-19(23)24)18-21-17(25-22-18)10-7-13-5-3-4-6-13/h8-9,11-13H,3-7,10H2,1-2H3,(H,20,24).
What are the key properties of 6-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one?
6-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one has a molecular weight of 340.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 53065745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).