[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone

C21H19N5OS — CID 91946845

IUPAC[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone
SMILESO=C(c1nnsc1-c1ccccc1)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C21H19N5OS/c27-21(18-19(28-25-24-18)14-7-2-1-3-8-14)26-12-6-9-15(13-26)20-22-16-10-4-5-11-17(16)23-20/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,22,23)
InChIKeyMBVVTRRBBICGGF-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.10
Rot. Bonds3

About [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone (PubChem CID 91946845) has the molecular formula C21H19N5OS and a molecular weight of 389.48 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone
PubChem CID91946845
Molecular FormulaC21H19N5OS
Molecular Weight389.48 g/mol
Exact Mass389.13
IUPAC Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone
SMILESO=C(c1nnsc1-c1ccccc1)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C21H19N5OS/c27-21(18-19(28-25-24-18)14-7-2-1-3-8-14)26-12-6-9-15(13-26)20-22-16-10-4-5-11-17(16)23-20/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,22,23)
InChIKeyMBVVTRRBBICGGF-UHFFFAOYSA-N
XLogP4.10
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 95868526
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 70722462
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone
CID 70728098
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone
CID 45192074
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 55483800
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110258855
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 110258767
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone
CID 95868077
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-hydroxythian-4-yl)methanone
CID 97250540

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone (CID 91946845) is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone is O=C(c1nnsc1-c1ccccc1)N1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone?
The InChIKey is MBVVTRRBBICGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5OS/c27-21(18-19(28-25-24-18)14-7-2-1-3-8-14)26-12-6-9-15(13-26)20-22-16-10-4-5-11-17(16)23-20/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,22,23).
What are the key properties of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone?
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone has a molecular weight of 389.48 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone is sourced from PubChem (CID 91946845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).