2-ethyl-1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]pyrrolidin-3-yl}-1H-1,3-benzodiazole

C23H24N4O2 — CID 24776350

IUPAC[3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
SMILESCCC1=NC2=CC=CC=C2N1C3CCN(C3)C(=O)C4=CC5=C(N4)C=CC(=C5)OC
InChIInChI=1S/C23H24N4O2/c1-3-22-25-19-6-4-5-7-21(19)27(22)16-10-11-26(14-16)23(28)20-13-15-12-17(29-2)8-9-18(15)24-20/h4-9,12-13,16,24H,3,10-11,14H2,1-2H3
InChIKeyQVEGWYOUJZKXIV-UHFFFAOYSA-N
MW388.50 g/mol
LogP4.00
Rot. Bonds4

About 2-ethyl-1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]pyrrolidin-3-yl}-1H-1,3-benzodiazole

2-ethyl-1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]pyrrolidin-3-yl}-1H-1,3-benzodiazole (PubChem CID 24776350) has the molecular formula C23H24N4O2 and a molecular weight of 388.50 g/mol. Its IUPAC name is [3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name2-ethyl-1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]pyrrolidin-3-yl}-1H-1,3-benzodiazole
PubChem CID24776350
Molecular FormulaC23H24N4O2
Molecular Weight388.50 g/mol
Exact Mass388.19
IUPAC Name[3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
SMILESCCC1=NC2=CC=CC=C2N1C3CCN(C3)C(=O)C4=CC5=C(N4)C=CC(=C5)OC
InChIInChI=1S/C23H24N4O2/c1-3-22-25-19-6-4-5-7-21(19)27(22)16-10-11-26(14-16)23(28)20-13-15-12-17(29-2)8-9-18(15)24-20/h4-9,12-13,16,24H,3,10-11,14H2,1-2H3
InChIKeyQVEGWYOUJZKXIV-UHFFFAOYSA-N
XLogP4.00
TPSA63.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity601

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]pyrrolidin-3-yl}-1H-1,3-benzodiazole?
The IUPAC name of 2-ethyl-1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]pyrrolidin-3-yl}-1H-1,3-benzodiazole (CID 24776350) is [3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for 2-ethyl-1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]pyrrolidin-3-yl}-1H-1,3-benzodiazole?
The canonical SMILES for 2-ethyl-1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]pyrrolidin-3-yl}-1H-1,3-benzodiazole is CCC1=NC2=CC=CC=C2N1C3CCN(C3)C(=O)C4=CC5=C(N4)C=CC(=C5)OC.
What is the InChIKey of 2-ethyl-1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]pyrrolidin-3-yl}-1H-1,3-benzodiazole?
The InChIKey is QVEGWYOUJZKXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-3-22-25-19-6-4-5-7-21(19)27(22)16-10-11-26(14-16)23(28)20-13-15-12-17(29-2)8-9-18(15)24-20/h4-9,12-13,16,24H,3,10-11,14H2,1-2H3.
What are the key properties of 2-ethyl-1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]pyrrolidin-3-yl}-1H-1,3-benzodiazole?
2-ethyl-1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]pyrrolidin-3-yl}-1H-1,3-benzodiazole has a molecular weight of 388.50 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]pyrrolidin-3-yl}-1H-1,3-benzodiazole is sourced from PubChem (CID 24776350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).