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

C23H21N3OS — CID 46851674

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cccs2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C23H21N3OS/c27-23(18-9-7-16(8-10-18)21-6-3-15-28-21)26-13-11-17(12-14-26)22-24-19-4-1-2-5-20(19)25-22/h1-10,15,17H,11-14H2,(H,24,25)
InChIKeyWWPLDGHRNSVMAF-UHFFFAOYSA-N
MW387.51 g/mol
LogP5.31
Rot. Bonds3

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

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone (PubChem CID 46851674) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone
PubChem CID46851674
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cccs2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C23H21N3OS/c27-23(18-9-7-16(8-10-18)21-6-3-15-28-21)26-13-11-17(12-14-26)22-24-19-4-1-2-5-20(19)25-22/h1-10,15,17H,11-14H2,(H,24,25)
InChIKeyWWPLDGHRNSVMAF-UHFFFAOYSA-N
XLogP5.31
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.51
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone
CID 46851512
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 35348252
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone
CID 37437294
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 43981442
[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 51137015
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 44565605
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-thiophen-2-ylbenzaldehyde
CID 87398851
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 38372032
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanone
CID 46579239
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone
CID 33112285
methyl 2-[1-(4-phenylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxylate
CID 58494549

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone (CID 46851674) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone is O=C(c1ccc(-c2cccs2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone?
The InChIKey is WWPLDGHRNSVMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS/c27-23(18-9-7-16(8-10-18)21-6-3-15-28-21)26-13-11-17(12-14-26)22-24-19-4-1-2-5-20(19)25-22/h1-10,15,17H,11-14H2,(H,24,25).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone has a molecular weight of 387.51 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone is sourced from PubChem (CID 46851674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).