5-chloro-6-(1-hydroxypentyl)-1,3-dihydrobenzimidazol-2-one

C12H15ClN2O2 — CID 82174523

IUPAC5-chloro-6-(1-hydroxypentyl)-1,3-dihydrobenzimidazol-2-one
SMILESCCCCC(O)c1cc2[nH]c(=O)[nH]c2cc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-2-3-4-11(16)7-5-9-10(6-8(7)13)15-12(17)14-9/h5-6,11,16H,2-4H2,1H3,(H2,14,15,17)
InChIKeyIUWGRSJWFZOYJJ-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.73
Rot. Bonds4

About 5-chloro-6-(1-hydroxypentyl)-1,3-dihydrobenzimidazol-2-one

5-chloro-6-(1-hydroxypentyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 82174523) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 5-chloro-6-(1-hydroxypentyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-6-(1-hydroxypentyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID82174523
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name5-chloro-6-(1-hydroxypentyl)-1,3-dihydrobenzimidazol-2-one
SMILESCCCCC(O)c1cc2[nH]c(=O)[nH]c2cc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-2-3-4-11(16)7-5-9-10(6-8(7)13)15-12(17)14-9/h5-6,11,16H,2-4H2,1H3,(H2,14,15,17)
InChIKeyIUWGRSJWFZOYJJ-UHFFFAOYSA-N
XLogP2.73
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(1-hydroxypentyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-chloro-6-(1-hydroxypentyl)-1,3-dihydrobenzimidazol-2-one (CID 82174523) is 5-chloro-6-(1-hydroxypentyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-chloro-6-(1-hydroxypentyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-chloro-6-(1-hydroxypentyl)-1,3-dihydrobenzimidazol-2-one is CCCCC(O)c1cc2[nH]c(=O)[nH]c2cc1Cl.
What is the InChIKey of 5-chloro-6-(1-hydroxypentyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is IUWGRSJWFZOYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-2-3-4-11(16)7-5-9-10(6-8(7)13)15-12(17)14-9/h5-6,11,16H,2-4H2,1H3,(H2,14,15,17).
What are the key properties of 5-chloro-6-(1-hydroxypentyl)-1,3-dihydrobenzimidazol-2-one?
5-chloro-6-(1-hydroxypentyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 254.72 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(1-hydroxypentyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 82174523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).