[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone

C18H23N5O2S — CID 110814520

IUPAC[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESCCc1nc2ccc(C(=O)N3CCN(C(=O)C4CSCN4)CC3)cc2[nH]1
InChIInChI=1S/C18H23N5O2S/c1-2-16-20-13-4-3-12(9-14(13)21-16)17(24)22-5-7-23(8-6-22)18(25)15-10-26-11-19-15/h3-4,9,15,19H,2,5-8,10-11H2,1H3,(H,20,21)
InChIKeyHOEKBTQSJVJUMW-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.07
Rot. Bonds3

About [4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone

[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone (PubChem CID 110814520) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is [4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
PubChem CID110814520
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESCCc1nc2ccc(C(=O)N3CCN(C(=O)C4CSCN4)CC3)cc2[nH]1
InChIInChI=1S/C18H23N5O2S/c1-2-16-20-13-4-3-12(9-14(13)21-16)17(24)22-5-7-23(8-6-22)18(25)15-10-26-11-19-15/h3-4,9,15,19H,2,5-8,10-11H2,1H3,(H,20,21)
InChIKeyHOEKBTQSJVJUMW-UHFFFAOYSA-N
XLogP1.07
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 110800078
methyl 4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazine-1-carboxylate
CID 110803344
(4-benzylpiperazin-1-yl)-(2-ethyl-3H-benzimidazol-5-yl)methanone
CID 110765544
[4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110814495
[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110808440
[4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110802108
[4-[(1S,2S)-2-hydroxycyclohexyl]piperazin-1-yl]-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]methanone
CID 74236011
1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one
CID 39104518
[4-(2-ethoxy-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 136538502
1-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]propan-2-one
CID 135163730
(2-ethyl-3H-benzimidazol-5-yl)-piperidin-4-ylmethanone
CID 82499869
1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-1-one
CID 82493033

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The IUPAC name of [4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone (CID 110814520) is [4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone.
What is the SMILES notation for [4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The canonical SMILES for [4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone is CCc1nc2ccc(C(=O)N3CCN(C(=O)C4CSCN4)CC3)cc2[nH]1.
What is the InChIKey of [4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The InChIKey is HOEKBTQSJVJUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-2-16-20-13-4-3-12(9-14(13)21-16)17(24)22-5-7-23(8-6-22)18(25)15-10-26-11-19-15/h3-4,9,15,19H,2,5-8,10-11H2,1H3,(H,20,21).
What are the key properties of [4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone has a molecular weight of 373.48 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone is sourced from PubChem (CID 110814520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).