[(3S)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone

C23H24N4O2 — CID 24776352

IUPAC[(3S)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
SMILESCCc1nc2ccccc2n1[C@H]1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)C1
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/t16-/m0/s1
InChIKeyQVEGWYOUJZKXIV-INIZCTEOSA-N
MW388.47 g/mol
LogP4.18
Rot. Bonds4

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

[(3S)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone (PubChem CID 24776352) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is [(3S)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
PubChem CID24776352
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name[(3S)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
SMILESCCc1nc2ccccc2n1[C@H]1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)C1
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/t16-/m0/s1
InChIKeyQVEGWYOUJZKXIV-INIZCTEOSA-N
XLogP4.18
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of [(3S)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone (CID 24776352) is [(3S)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for [(3S)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for [(3S)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone is CCc1nc2ccccc2n1[C@H]1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)C1.
What is the InChIKey of [(3S)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone?
The InChIKey is QVEGWYOUJZKXIV-INIZCTEOSA-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/t16-/m0/s1.
What are the key properties of [(3S)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone?
[(3S)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone has a molecular weight of 388.47 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2-ethylbenzimidazol-1-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 24776352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).