4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)butanoic acid

C14H16N2O2 — CID 117362606

IUPAC4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)butanoic acid
SMILESO=C(O)CCCc1ccc2nc3n(c2c1)CCC3
InChIInChI=1S/C14H16N2O2/c17-14(18)5-1-3-10-6-7-11-12(9-10)16-8-2-4-13(16)15-11/h6-7,9H,1-5,8H2,(H,17,18)
InChIKeyBRRJERPMOYVOTO-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.39
Rot. Bonds4

About 4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)butanoic acid

4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)butanoic acid (PubChem CID 117362606) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)butanoic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)butanoic acid
PubChem CID117362606
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)butanoic acid
SMILESO=C(O)CCCc1ccc2nc3n(c2c1)CCC3
InChIInChI=1S/C14H16N2O2/c17-14(18)5-1-3-10-6-7-11-12(9-10)16-8-2-4-13(16)15-11/h6-7,9H,1-5,8H2,(H,17,18)
InChIKeyBRRJERPMOYVOTO-UHFFFAOYSA-N
XLogP2.39
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-3-methylbutanoic acid
CID 117399432
2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbaldehyde
CID 82405915
7-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 102045736
4-methyl-4-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-ylcarbamoylamino)pentanoic acid
CID 122074288
4-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]butanoic acid
CID 82260139
6,7-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 695586
3-[3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]propanoic acid
CID 146077488
4-(1,3-dimethylindazol-6-yl)butanoic acid
CID 117336304
5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pentanoic acid
CID 81057903
4-(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)butanoic acid
CID 117404661
5-[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]pentanoic acid
CID 95414286
3-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbonyl)amino]propanoic acid
CID 119351395

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)butanoic acid?
The IUPAC name of 4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)butanoic acid (CID 117362606) is 4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)butanoic acid.
What is the SMILES notation for 4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)butanoic acid?
The canonical SMILES for 4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)butanoic acid is O=C(O)CCCc1ccc2nc3n(c2c1)CCC3.
What is the InChIKey of 4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)butanoic acid?
The InChIKey is BRRJERPMOYVOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-14(18)5-1-3-10-6-7-11-12(9-10)16-8-2-4-13(16)15-11/h6-7,9H,1-5,8H2,(H,17,18).
What are the key properties of 4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)butanoic acid?
4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)butanoic acid has a molecular weight of 244.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)butanoic acid is sourced from PubChem (CID 117362606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).