2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-thiophen-2-ylbenzaldehyde

C23H21N3OS — CID 87398851

IUPAC2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-thiophen-2-ylbenzaldehyde
SMILESO=Cc1ccc(-c2cccs2)cc1N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C23H21N3OS/c27-15-18-8-7-17(22-6-3-13-28-22)14-21(18)26-11-9-16(10-12-26)23-24-19-4-1-2-5-20(19)25-23/h1-8,13-16H,9-12H2,(H,24,25)
InChIKeyFGTIJOYGUIILKE-UHFFFAOYSA-N
MW387.51 g/mol
LogP5.49
Rot. Bonds4

About 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-thiophen-2-ylbenzaldehyde

2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-thiophen-2-ylbenzaldehyde (PubChem CID 87398851) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-thiophen-2-ylbenzaldehyde.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-thiophen-2-ylbenzaldehyde
PubChem CID87398851
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC Name2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-thiophen-2-ylbenzaldehyde
SMILESO=Cc1ccc(-c2cccs2)cc1N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C23H21N3OS/c27-15-18-8-7-17(22-6-3-13-28-22)14-21(18)26-11-9-16(10-12-26)23-24-19-4-1-2-5-20(19)25-23/h1-8,13-16H,9-12H2,(H,24,25)
InChIKeyFGTIJOYGUIILKE-UHFFFAOYSA-N
XLogP5.49
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.51
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone
CID 46851674
4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine
CID 24590020
2-[1-(4-phenylphenyl)sulfinylpiperidin-4-yl]-1H-benzimidazole
CID 91129152
7-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-6-nitro-3H-quinazolin-4-one
CID 135620404
2-[1-(3-methylsulfonyl-2-nitrophenyl)piperidin-4-yl]-1H-benzimidazole
CID 133393278
2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
CID 4626342
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone
CID 37437294
5-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]furan-2-carbaldehyde
CID 169334306
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937
2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole
CID 18148631
4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 116985498
2-[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-1H-benzimidazole
CID 108776236

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-thiophen-2-ylbenzaldehyde?
The IUPAC name of 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-thiophen-2-ylbenzaldehyde (CID 87398851) is 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-thiophen-2-ylbenzaldehyde.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-thiophen-2-ylbenzaldehyde?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-thiophen-2-ylbenzaldehyde is O=Cc1ccc(-c2cccs2)cc1N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-thiophen-2-ylbenzaldehyde?
The InChIKey is FGTIJOYGUIILKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS/c27-15-18-8-7-17(22-6-3-13-28-22)14-21(18)26-11-9-16(10-12-26)23-24-19-4-1-2-5-20(19)25-23/h1-8,13-16H,9-12H2,(H,24,25).
What are the key properties of 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-thiophen-2-ylbenzaldehyde?
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-thiophen-2-ylbenzaldehyde has a molecular weight of 387.51 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-thiophen-2-ylbenzaldehyde is sourced from PubChem (CID 87398851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).