[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-4-yl]methanone

C23H24N4O2 — CID 91822406

IUPAC[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-4-yl]methanone
SMILESCOCCn1ccc2c(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)cccc21
InChIInChI=1S/C23H24N4O2/c1-29-15-14-26-13-11-16-17(6-4-9-20(16)26)23(28)27-12-5-10-21(27)22-24-18-7-2-3-8-19(18)25-22/h2-4,6-9,11,13,21H,5,10,12,14-15H2,1H3,(H,24,25)/t21-/m0/s1
InChIKeyAYNDXZJWAWDMKQ-NRFANRHFSA-N
MW388.47 g/mol
LogP4.14
Rot. Bonds5

About [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-4-yl]methanone

[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-4-yl]methanone (PubChem CID 91822406) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-4-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-4-yl]methanone
PubChem CID91822406
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-4-yl]methanone
SMILESCOCCn1ccc2c(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)cccc21
InChIInChI=1S/C23H24N4O2/c1-29-15-14-26-13-11-16-17(6-4-9-20(16)26)23(28)27-12-5-10-21(27)22-24-18-7-2-3-8-19(18)25-22/h2-4,6-9,11,13,21H,5,10,12,14-15H2,1H3,(H,24,25)/t21-/m0/s1
InChIKeyAYNDXZJWAWDMKQ-NRFANRHFSA-N
XLogP4.14
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-4-yl]methanone?
The IUPAC name of [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-4-yl]methanone (CID 91822406) is [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-4-yl]methanone.
What is the SMILES notation for [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-4-yl]methanone?
The canonical SMILES for [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-4-yl]methanone is COCCn1ccc2c(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)cccc21.
What is the InChIKey of [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-4-yl]methanone?
The InChIKey is AYNDXZJWAWDMKQ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-29-15-14-26-13-11-16-17(6-4-9-20(16)26)23(28)27-12-5-10-21(27)22-24-18-7-2-3-8-19(18)25-22/h2-4,6-9,11,13,21H,5,10,12,14-15H2,1H3,(H,24,25)/t21-/m0/s1.
What are the key properties of [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-4-yl]methanone?
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-4-yl]methanone has a molecular weight of 388.47 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-4-yl]methanone is sourced from PubChem (CID 91822406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).