2-(5-propanoyl-2-pyridin-3-ylbenzimidazol-1-yl)propanoic acid

C18H17N3O3 — CID 82142225

IUPAC2-(5-propanoyl-2-pyridin-3-ylbenzimidazol-1-yl)propanoic acid
SMILESCCC(=O)c1ccc2c(c1)nc(-c1cccnc1)n2C(C)C(=O)O
InChIInChI=1S/C18H17N3O3/c1-3-16(22)12-6-7-15-14(9-12)20-17(13-5-4-8-19-10-13)21(15)11(2)18(23)24/h4-11H,3H2,1-2H3,(H,23,24)
InChIKeyAEGWMWJPJGSSFW-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.34
Rot. Bonds5

About 2-(5-propanoyl-2-pyridin-3-ylbenzimidazol-1-yl)propanoic acid

2-(5-propanoyl-2-pyridin-3-ylbenzimidazol-1-yl)propanoic acid (PubChem CID 82142225) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(5-propanoyl-2-pyridin-3-ylbenzimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-propanoyl-2-pyridin-3-ylbenzimidazol-1-yl)propanoic acid
PubChem CID82142225
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-(5-propanoyl-2-pyridin-3-ylbenzimidazol-1-yl)propanoic acid
SMILESCCC(=O)c1ccc2c(c1)nc(-c1cccnc1)n2C(C)C(=O)O
InChIInChI=1S/C18H17N3O3/c1-3-16(22)12-6-7-15-14(9-12)20-17(13-5-4-8-19-10-13)21(15)11(2)18(23)24/h4-11H,3H2,1-2H3,(H,23,24)
InChIKeyAEGWMWJPJGSSFW-UHFFFAOYSA-N
XLogP3.34
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid
CID 82144822
2-[2-(3-methylphenyl)-5-propanoylbenzimidazol-1-yl]acetic acid
CID 94743154
ethyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate
CID 23762682
N-(1-propan-2-yl-2-pyridin-3-ylbenzimidazol-5-yl)methanesulfonamide
CID 121448048
2-(5-propanoyl-2-propan-2-ylbenzimidazol-1-yl)acetic acid
CID 94743145
benzyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate
CID 23878226
4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-4-oxobutanoic acid
CID 82502143
2-(2-methylbenzimidazol-1-yl)propanoic acid
CID 5236849
4,4-dimethyl-2-[(5-pyridin-3-yltetrazol-1-yl)methyl]pentanoic acid
CID 107475215
2-[6-methyl-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 82061458
2-(5,6-difluoro-2-methylbenzimidazol-1-yl)propanoic acid
CID 82146050
2-(2-pentan-3-ylbenzimidazol-1-yl)propanoic acid
CID 82144571

Frequently Asked Questions

What is the IUPAC name of 2-(5-propanoyl-2-pyridin-3-ylbenzimidazol-1-yl)propanoic acid?
The IUPAC name of 2-(5-propanoyl-2-pyridin-3-ylbenzimidazol-1-yl)propanoic acid (CID 82142225) is 2-(5-propanoyl-2-pyridin-3-ylbenzimidazol-1-yl)propanoic acid.
What is the SMILES notation for 2-(5-propanoyl-2-pyridin-3-ylbenzimidazol-1-yl)propanoic acid?
The canonical SMILES for 2-(5-propanoyl-2-pyridin-3-ylbenzimidazol-1-yl)propanoic acid is CCC(=O)c1ccc2c(c1)nc(-c1cccnc1)n2C(C)C(=O)O.
What is the InChIKey of 2-(5-propanoyl-2-pyridin-3-ylbenzimidazol-1-yl)propanoic acid?
The InChIKey is AEGWMWJPJGSSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-3-16(22)12-6-7-15-14(9-12)20-17(13-5-4-8-19-10-13)21(15)11(2)18(23)24/h4-11H,3H2,1-2H3,(H,23,24).
What are the key properties of 2-(5-propanoyl-2-pyridin-3-ylbenzimidazol-1-yl)propanoic acid?
2-(5-propanoyl-2-pyridin-3-ylbenzimidazol-1-yl)propanoic acid has a molecular weight of 323.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propanoyl-2-pyridin-3-ylbenzimidazol-1-yl)propanoic acid is sourced from PubChem (CID 82142225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).