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

C22H21FN4O — CID 24776353

IUPAC[(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
SMILESCCc1nc2ccccc2n1[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1
InChIInChI=1S/C22H21FN4O/c1-2-21-25-18-5-3-4-6-20(18)27(21)16-9-10-26(13-16)22(28)19-12-14-11-15(23)7-8-17(14)24-19/h3-8,11-12,16,24H,2,9-10,13H2,1H3/t16-/m1/s1
InChIKeyDJFOTTYJRUVOFU-MRXNPFEDSA-N
MW376.44 g/mol
LogP4.31
Rot. Bonds3

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

[(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone (PubChem CID 24776353) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is [(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
PubChem CID24776353
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name[(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
SMILESCCc1nc2ccccc2n1[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1
InChIInChI=1S/C22H21FN4O/c1-2-21-25-18-5-3-4-6-20(18)27(21)16-9-10-26(13-16)22(28)19-12-14-11-15(23)7-8-17(14)24-19/h3-8,11-12,16,24H,2,9-10,13H2,1H3/t16-/m1/s1
InChIKeyDJFOTTYJRUVOFU-MRXNPFEDSA-N
XLogP4.31
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.31
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-fluoro-1H-indol-2-yl)methanone?
The IUPAC name of [(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone (CID 24776353) is [(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone.
What is the SMILES notation for [(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone?
The canonical SMILES for [(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone is CCc1nc2ccccc2n1[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1.
What is the InChIKey of [(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone?
The InChIKey is DJFOTTYJRUVOFU-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-2-21-25-18-5-3-4-6-20(18)27(21)16-9-10-26(13-16)22(28)19-12-14-11-15(23)7-8-17(14)24-19/h3-8,11-12,16,24H,2,9-10,13H2,1H3/t16-/m1/s1.
What are the key properties of [(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone?
[(3R)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone has a molecular weight of 376.44 g/mol, XLogP of 4.31, 3 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-fluoro-1H-indol-2-yl)methanone is sourced from PubChem (CID 24776353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).