[(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-ethyl-1H-indol-2-yl)methanone

C24H26N4O — CID 24776357

IUPAC[(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-ethyl-1H-indol-2-yl)methanone
SMILESCCc1ccc2[nH]c(C(=O)N3CC[C@@H](n4c(CC)nc5ccccc54)C3)cc2c1
InChIInChI=1S/C24H26N4O/c1-3-16-9-10-19-17(13-16)14-21(25-19)24(29)27-12-11-18(15-27)28-22-8-6-5-7-20(22)26-23(28)4-2/h5-10,13-14,18,25H,3-4,11-12,15H2,1-2H3/t18-/m1/s1
InChIKeySADOBIBJBVJXKY-GOSISDBHSA-N
MW386.50 g/mol
LogP4.73
Rot. Bonds4

About [(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-ethyl-1H-indol-2-yl)methanone

[(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-ethyl-1H-indol-2-yl)methanone (PubChem CID 24776357) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is [(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-ethyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-ethyl-1H-indol-2-yl)methanone
PubChem CID24776357
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name[(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-ethyl-1H-indol-2-yl)methanone
SMILESCCc1ccc2[nH]c(C(=O)N3CC[C@@H](n4c(CC)nc5ccccc54)C3)cc2c1
InChIInChI=1S/C24H26N4O/c1-3-16-9-10-19-17(13-16)14-21(25-19)24(29)27-12-11-18(15-27)28-22-8-6-5-7-20(22)26-23(28)4-2/h5-10,13-14,18,25H,3-4,11-12,15H2,1-2H3/t18-/m1/s1
InChIKeySADOBIBJBVJXKY-GOSISDBHSA-N
XLogP4.73
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-ethyl-1H-indol-2-yl)methanone?
The IUPAC name of [(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-ethyl-1H-indol-2-yl)methanone (CID 24776357) is [(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-ethyl-1H-indol-2-yl)methanone.
What is the SMILES notation for [(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-ethyl-1H-indol-2-yl)methanone?
The canonical SMILES for [(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-ethyl-1H-indol-2-yl)methanone is CCc1ccc2[nH]c(C(=O)N3CC[C@@H](n4c(CC)nc5ccccc54)C3)cc2c1.
What is the InChIKey of [(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-ethyl-1H-indol-2-yl)methanone?
The InChIKey is SADOBIBJBVJXKY-GOSISDBHSA-N. The full InChI is InChI=1S/C24H26N4O/c1-3-16-9-10-19-17(13-16)14-21(25-19)24(29)27-12-11-18(15-27)28-22-8-6-5-7-20(22)26-23(28)4-2/h5-10,13-14,18,25H,3-4,11-12,15H2,1-2H3/t18-/m1/s1.
What are the key properties of [(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-ethyl-1H-indol-2-yl)methanone?
[(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-ethyl-1H-indol-2-yl)methanone has a molecular weight of 386.50 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-ethyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 24776357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).