3-[1-methyl-6-(2-methylpropyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylpropanoic acid

C19H27N3O2 — CID 176775231

IUPAC3-[1-methyl-6-(2-methylpropyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylpropanoic acid
SMILESCC(C)Cc1ccc2nc(CC(C(=O)O)C3CCNC3)n(C)c2c1
InChIInChI=1S/C19H27N3O2/c1-12(2)8-13-4-5-16-17(9-13)22(3)18(21-16)10-15(19(23)24)14-6-7-20-11-14/h4-5,9,12,14-15,20H,6-8,10-11H2,1-3H3,(H,23,24)
InChIKeyMFFBIDPMPMAZDI-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.62
Rot. Bonds6

About 3-[1-methyl-6-(2-methylpropyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylpropanoic acid

3-[1-methyl-6-(2-methylpropyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylpropanoic acid (PubChem CID 176775231) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-[1-methyl-6-(2-methylpropyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylpropanoic acid.

Molecular Properties

Compound Name3-[1-methyl-6-(2-methylpropyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylpropanoic acid
PubChem CID176775231
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-[1-methyl-6-(2-methylpropyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylpropanoic acid
SMILESCC(C)Cc1ccc2nc(CC(C(=O)O)C3CCNC3)n(C)c2c1
InChIInChI=1S/C19H27N3O2/c1-12(2)8-13-4-5-16-17(9-13)22(3)18(21-16)10-15(19(23)24)14-6-7-20-11-14/h4-5,9,12,14-15,20H,6-8,10-11H2,1-3H3,(H,23,24)
InChIKeyMFFBIDPMPMAZDI-UHFFFAOYSA-N
XLogP2.62
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-6-(2-methylpropyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylpropanoic acid?
The IUPAC name of 3-[1-methyl-6-(2-methylpropyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylpropanoic acid (CID 176775231) is 3-[1-methyl-6-(2-methylpropyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylpropanoic acid.
What is the SMILES notation for 3-[1-methyl-6-(2-methylpropyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylpropanoic acid?
The canonical SMILES for 3-[1-methyl-6-(2-methylpropyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylpropanoic acid is CC(C)Cc1ccc2nc(CC(C(=O)O)C3CCNC3)n(C)c2c1.
What is the InChIKey of 3-[1-methyl-6-(2-methylpropyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylpropanoic acid?
The InChIKey is MFFBIDPMPMAZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-12(2)8-13-4-5-16-17(9-13)22(3)18(21-16)10-15(19(23)24)14-6-7-20-11-14/h4-5,9,12,14-15,20H,6-8,10-11H2,1-3H3,(H,23,24).
What are the key properties of 3-[1-methyl-6-(2-methylpropyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylpropanoic acid?
3-[1-methyl-6-(2-methylpropyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylpropanoic acid has a molecular weight of 329.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-6-(2-methylpropyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylpropanoic acid is sourced from PubChem (CID 176775231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).