4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid

C12H14N2O3 — CID 115420745

IUPAC4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
SMILESCC(CCC(=O)O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C12H14N2O3/c1-7(2-5-11(15)16)8-3-4-9-10(6-8)14-12(17)13-9/h3-4,6-7H,2,5H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyXJTWXQLQEDGGOK-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.82
Rot. Bonds4

About 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid

4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid (PubChem CID 115420745) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid.

Molecular Properties

Compound Name4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
PubChem CID115420745
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
SMILESCC(CCC(=O)O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C12H14N2O3/c1-7(2-5-11(15)16)8-3-4-9-10(6-8)14-12(17)13-9/h3-4,6-7H,2,5H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyXJTWXQLQEDGGOK-UHFFFAOYSA-N
XLogP1.82
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 117283003
4-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
CID 82118893
6-amino-6-(2-oxo-1,3-dihydrobenzimidazol-5-yl)hexanoic acid
CID 43446952
5-amino-3,3-dimethyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
CID 62933664
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756
5-(1-bromo-2-oxopropyl)-1,3-dihydrobenzimidazol-2-one
CID 116859823
2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide
CID 116843911
3-amino-4-(methylamino)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoic acid
CID 116957926
4-amino-2,2-dimethyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 65298571
5-[1-(dimethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 116914662
4-[4-(hydroxymethyl)phenyl]pentanoic acid
CID 172883512
5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 43186831

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid?
The IUPAC name of 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid (CID 115420745) is 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid.
What is the SMILES notation for 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid?
The canonical SMILES for 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid is CC(CCC(=O)O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid?
The InChIKey is XJTWXQLQEDGGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7(2-5-11(15)16)8-3-4-9-10(6-8)14-12(17)13-9/h3-4,6-7H,2,5H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid?
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid has a molecular weight of 234.25 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid is sourced from PubChem (CID 115420745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).