[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone

C24H21N5OS — CID 45192074

IUPAC[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone
SMILESO=C(c1csc2nc(-c3ccccc3)cn12)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C24H21N5OS/c30-23(21-15-31-24-27-20(14-29(21)24)16-7-2-1-3-8-16)28-12-6-9-17(13-28)22-25-18-10-4-5-11-19(18)26-22/h1-5,7-8,10-11,14-15,17H,6,9,12-13H2,(H,25,26)
InChIKeyBHXQECRFBGIOTF-UHFFFAOYSA-N
MW427.53 g/mol
LogP4.96
Rot. Bonds3

About [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone (PubChem CID 45192074) has the molecular formula C24H21N5OS and a molecular weight of 427.53 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone
PubChem CID45192074
Molecular FormulaC24H21N5OS
Molecular Weight427.53 g/mol
Exact Mass427.15
IUPAC Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone
SMILESO=C(c1csc2nc(-c3ccccc3)cn12)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C24H21N5OS/c30-23(21-15-31-24-27-20(14-29(21)24)16-7-2-1-3-8-16)28-12-6-9-17(13-28)22-25-18-10-4-5-11-19(18)26-22/h1-5,7-8,10-11,14-15,17H,6,9,12-13H2,(H,25,26)
InChIKeyBHXQECRFBGIOTF-UHFFFAOYSA-N
XLogP4.96
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(4R)-4-phenylazepan-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone
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[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 110258767
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone
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[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110258855
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 40791033
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 51329202
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 40973368
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 95896011
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone (CID 45192074) is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone is O=C(c1csc2nc(-c3ccccc3)cn12)N1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone?
The InChIKey is BHXQECRFBGIOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5OS/c30-23(21-15-31-24-27-20(14-29(21)24)16-7-2-1-3-8-16)28-12-6-9-17(13-28)22-25-18-10-4-5-11-19(18)26-22/h1-5,7-8,10-11,14-15,17H,6,9,12-13H2,(H,25,26).
What are the key properties of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone?
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone has a molecular weight of 427.53 g/mol, XLogP of 4.96, 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]-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)methanone is sourced from PubChem (CID 45192074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).