[4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-cyclopropylmethanone

C23H24N4O2S — CID 55340249

IUPAC[4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(c1ccc(CSc2nc3ccccc3[nH]2)cc1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C23H24N4O2S/c28-21(26-11-13-27(14-12-26)22(29)18-9-10-18)17-7-5-16(6-8-17)15-30-23-24-19-3-1-2-4-20(19)25-23/h1-8,18H,9-15H2,(H,24,25)
InChIKeyRNHIHPXSYZSSNA-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.55
Rot. Bonds5

About [4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-cyclopropylmethanone

[4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-cyclopropylmethanone (PubChem CID 55340249) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is [4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-cyclopropylmethanone
PubChem CID55340249
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name[4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(c1ccc(CSc2nc3ccccc3[nH]2)cc1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C23H24N4O2S/c28-21(26-11-13-27(14-12-26)22(29)18-9-10-18)17-7-5-16(6-8-17)15-30-23-24-19-3-1-2-4-20(19)25-23/h1-8,18H,9-15H2,(H,24,25)
InChIKeyRNHIHPXSYZSSNA-UHFFFAOYSA-N
XLogP3.55
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-(cyclohex-3-ene-1-carbonyl)benzohydrazide
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[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
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N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 2088527
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
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[2-(1H-benzimidazol-2-yl)-4-(4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone
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Frequently Asked Questions

What is the IUPAC name of [4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-cyclopropylmethanone (CID 55340249) is [4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-cyclopropylmethanone is O=C(c1ccc(CSc2nc3ccccc3[nH]2)cc1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of [4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is RNHIHPXSYZSSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c28-21(26-11-13-27(14-12-26)22(29)18-9-10-18)17-7-5-16(6-8-17)15-30-23-24-19-3-1-2-4-20(19)25-23/h1-8,18H,9-15H2,(H,24,25).
What are the key properties of [4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-cyclopropylmethanone?
[4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 420.54 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 55340249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).