1,3-diethyl-5-(1-hydroxypentyl)benzimidazol-2-one

C16H24N2O2 — CID 82174386

IUPAC1,3-diethyl-5-(1-hydroxypentyl)benzimidazol-2-one
SMILESCCCCC(O)c1ccc2c(c1)n(CC)c(=O)n2CC
InChIInChI=1S/C16H24N2O2/c1-4-7-8-15(19)12-9-10-13-14(11-12)18(6-3)16(20)17(13)5-2/h9-11,15,19H,4-8H2,1-3H3
InChIKeyPARGUGMKCIUTCZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.07
Rot. Bonds6

About 1,3-diethyl-5-(1-hydroxypentyl)benzimidazol-2-one

1,3-diethyl-5-(1-hydroxypentyl)benzimidazol-2-one (PubChem CID 82174386) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1,3-diethyl-5-(1-hydroxypentyl)benzimidazol-2-one.

Molecular Properties

Compound Name1,3-diethyl-5-(1-hydroxypentyl)benzimidazol-2-one
PubChem CID82174386
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1,3-diethyl-5-(1-hydroxypentyl)benzimidazol-2-one
SMILESCCCCC(O)c1ccc2c(c1)n(CC)c(=O)n2CC
InChIInChI=1S/C16H24N2O2/c1-4-7-8-15(19)12-9-10-13-14(11-12)18(6-3)16(20)17(13)5-2/h9-11,15,19H,4-8H2,1-3H3
InChIKeyPARGUGMKCIUTCZ-UHFFFAOYSA-N
XLogP3.07
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-(1-hydroxypentyl)benzimidazol-2-one?
The IUPAC name of 1,3-diethyl-5-(1-hydroxypentyl)benzimidazol-2-one (CID 82174386) is 1,3-diethyl-5-(1-hydroxypentyl)benzimidazol-2-one.
What is the SMILES notation for 1,3-diethyl-5-(1-hydroxypentyl)benzimidazol-2-one?
The canonical SMILES for 1,3-diethyl-5-(1-hydroxypentyl)benzimidazol-2-one is CCCCC(O)c1ccc2c(c1)n(CC)c(=O)n2CC.
What is the InChIKey of 1,3-diethyl-5-(1-hydroxypentyl)benzimidazol-2-one?
The InChIKey is PARGUGMKCIUTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-7-8-15(19)12-9-10-13-14(11-12)18(6-3)16(20)17(13)5-2/h9-11,15,19H,4-8H2,1-3H3.
What are the key properties of 1,3-diethyl-5-(1-hydroxypentyl)benzimidazol-2-one?
1,3-diethyl-5-(1-hydroxypentyl)benzimidazol-2-one has a molecular weight of 276.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-(1-hydroxypentyl)benzimidazol-2-one is sourced from PubChem (CID 82174386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).