5-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-hydroxypentanoic acid

C14H18N2O4 — CID 62298502

IUPAC5-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-hydroxypentanoic acid
SMILESCn1c(=O)n(C)c2cc(C(O)CCCC(=O)O)ccc21
InChIInChI=1S/C14H18N2O4/c1-15-10-7-6-9(8-11(10)16(2)14(15)20)12(17)4-3-5-13(18)19/h6-8,12,17H,3-5H2,1-2H3,(H,18,19)
InChIKeyOBUALOBYHJTHHD-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.17
Rot. Bonds5

About 5-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-hydroxypentanoic acid

5-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-hydroxypentanoic acid (PubChem CID 62298502) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-hydroxypentanoic acid.

Molecular Properties

Compound Name5-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-hydroxypentanoic acid
PubChem CID62298502
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name5-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-hydroxypentanoic acid
SMILESCn1c(=O)n(C)c2cc(C(O)CCCC(=O)O)ccc21
InChIInChI=1S/C14H18N2O4/c1-15-10-7-6-9(8-11(10)16(2)14(15)20)12(17)4-3-5-13(18)19/h6-8,12,17H,3-5H2,1-2H3,(H,18,19)
InChIKeyOBUALOBYHJTHHD-UHFFFAOYSA-N
XLogP1.17
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-hydroxyhexyl)-1,3-dimethylbenzimidazol-2-one
CID 62300603
5-(2-cyclopropyl-1-hydroxyethyl)-1,3-dimethylbenzimidazol-2-one
CID 62299746
3-cyclopropyl-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic acid
CID 82124113
5-(2-ethyl-1-hydroxybutyl)-1,3-dimethylbenzimidazol-2-one
CID 62299747
1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one
CID 59333227
4-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-hydroxybutanoic acid
CID 62350963
5-(1-aminohexyl)-1,3-dimethylbenzimidazol-2-one
CID 62300256
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetic acid
CID 45157012
4-hydroxy-4-(1-methylbenzimidazol-5-yl)butanoic acid
CID 82347089
5-hydroxy-5-(4-propylphenyl)pentanoic acid
CID 43117855
5-(4-formylphenyl)-5-hydroxypentanoic acid
CID 87602179
5-[chloro(phenyl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 62300779

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-hydroxypentanoic acid?
The IUPAC name of 5-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-hydroxypentanoic acid (CID 62298502) is 5-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-hydroxypentanoic acid.
What is the SMILES notation for 5-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-hydroxypentanoic acid?
The canonical SMILES for 5-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-hydroxypentanoic acid is Cn1c(=O)n(C)c2cc(C(O)CCCC(=O)O)ccc21.
What is the InChIKey of 5-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-hydroxypentanoic acid?
The InChIKey is OBUALOBYHJTHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-15-10-7-6-9(8-11(10)16(2)14(15)20)12(17)4-3-5-13(18)19/h6-8,12,17H,3-5H2,1-2H3,(H,18,19).
What are the key properties of 5-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-hydroxypentanoic acid?
5-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-hydroxypentanoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-hydroxypentanoic acid is sourced from PubChem (CID 62298502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).