5-(2-ethyl-1-hydroxybutyl)-1,3-dimethylbenzimidazol-2-one

C15H22N2O2 — CID 62299747

IUPAC5-(2-ethyl-1-hydroxybutyl)-1,3-dimethylbenzimidazol-2-one
SMILESCCC(CC)C(O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C15H22N2O2/c1-5-10(6-2)14(18)11-7-8-12-13(9-11)17(4)15(19)16(12)3/h7-10,14,18H,5-6H2,1-4H3
InChIKeyCHDPACBYHRNCNR-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.35
Rot. Bonds4

About 5-(2-ethyl-1-hydroxybutyl)-1,3-dimethylbenzimidazol-2-one

5-(2-ethyl-1-hydroxybutyl)-1,3-dimethylbenzimidazol-2-one (PubChem CID 62299747) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-(2-ethyl-1-hydroxybutyl)-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-(2-ethyl-1-hydroxybutyl)-1,3-dimethylbenzimidazol-2-one
PubChem CID62299747
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-(2-ethyl-1-hydroxybutyl)-1,3-dimethylbenzimidazol-2-one
SMILESCCC(CC)C(O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C15H22N2O2/c1-5-10(6-2)14(18)11-7-8-12-13(9-11)17(4)15(19)16(12)3/h7-10,14,18H,5-6H2,1-4H3
InChIKeyCHDPACBYHRNCNR-UHFFFAOYSA-N
XLogP2.35
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-1-hydroxybutyl)-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-(2-ethyl-1-hydroxybutyl)-1,3-dimethylbenzimidazol-2-one (CID 62299747) is 5-(2-ethyl-1-hydroxybutyl)-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-(2-ethyl-1-hydroxybutyl)-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-(2-ethyl-1-hydroxybutyl)-1,3-dimethylbenzimidazol-2-one is CCC(CC)C(O)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 5-(2-ethyl-1-hydroxybutyl)-1,3-dimethylbenzimidazol-2-one?
The InChIKey is CHDPACBYHRNCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-10(6-2)14(18)11-7-8-12-13(9-11)17(4)15(19)16(12)3/h7-10,14,18H,5-6H2,1-4H3.
What are the key properties of 5-(2-ethyl-1-hydroxybutyl)-1,3-dimethylbenzimidazol-2-one?
5-(2-ethyl-1-hydroxybutyl)-1,3-dimethylbenzimidazol-2-one has a molecular weight of 262.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-1-hydroxybutyl)-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 62299747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).