[(2S,4S)-4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone

C19H26N6OS — CID 66559298

IUPAC[(2S,4S)-4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
SMILESO=C([C@@H]1C[C@H](N2CCN(c3nc4ccccc4[nH]3)CC2)CN1)N1CCSC1
InChIInChI=1S/C19H26N6OS/c26-18(25-9-10-27-13-25)17-11-14(12-20-17)23-5-7-24(8-6-23)19-21-15-3-1-2-4-16(15)22-19/h1-4,14,17,20H,5-13H2,(H,21,22)/t14-,17-/m0/s1
InChIKeyTVLHLTARSTYOGC-YOEHRIQHSA-N
MW386.53 g/mol
LogP0.95
Rot. Bonds3

About [(2S,4S)-4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone

[(2S,4S)-4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone (PubChem CID 66559298) has the molecular formula C19H26N6OS and a molecular weight of 386.53 g/mol. Its IUPAC name is [(2S,4S)-4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name[(2S,4S)-4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
PubChem CID66559298
Molecular FormulaC19H26N6OS
Molecular Weight386.53 g/mol
Exact Mass386.19
IUPAC Name[(2S,4S)-4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
SMILESO=C([C@@H]1C[C@H](N2CCN(c3nc4ccccc4[nH]3)CC2)CN1)N1CCSC1
InChIInChI=1S/C19H26N6OS/c26-18(25-9-10-27-13-25)17-11-14(12-20-17)23-5-7-24(8-6-23)19-21-15-3-1-2-4-16(15)22-19/h1-4,14,17,20H,5-13H2,(H,21,22)/t14-,17-/m0/s1
InChIKeyTVLHLTARSTYOGC-YOEHRIQHSA-N
XLogP0.95
TPSA67.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone?
The IUPAC name of [(2S,4S)-4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone (CID 66559298) is [(2S,4S)-4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for [(2S,4S)-4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for [(2S,4S)-4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone is O=C([C@@H]1C[C@H](N2CCN(c3nc4ccccc4[nH]3)CC2)CN1)N1CCSC1.
What is the InChIKey of [(2S,4S)-4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone?
The InChIKey is TVLHLTARSTYOGC-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H26N6OS/c26-18(25-9-10-27-13-25)17-11-14(12-20-17)23-5-7-24(8-6-23)19-21-15-3-1-2-4-16(15)22-19/h1-4,14,17,20H,5-13H2,(H,21,22)/t14-,17-/m0/s1.
What are the key properties of [(2S,4S)-4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone?
[(2S,4S)-4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone has a molecular weight of 386.53 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 66559298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).