[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)methanone

C19H21BrN4OS — CID 71827914

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC(C)c1sc(Br)nc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H21BrN4OS/c1-11(2)16-15(23-19(20)26-16)18(25)24-9-7-12(8-10-24)17-21-13-5-3-4-6-14(13)22-17/h3-6,11-12H,7-10H2,1-2H3,(H,21,22)
InChIKeyFSHFMFQPSOZOSE-UHFFFAOYSA-N
MW433.38 g/mol
LogP4.93
Rot. Bonds3

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)methanone

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 71827914) has the molecular formula C19H21BrN4OS and a molecular weight of 433.38 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID71827914
Molecular FormulaC19H21BrN4OS
Molecular Weight433.38 g/mol
Exact Mass432.06
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC(C)c1sc(Br)nc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H21BrN4OS/c1-11(2)16-15(23-19(20)26-16)18(25)24-9-7-12(8-10-24)17-21-13-5-3-4-6-14(13)22-17/h3-6,11-12H,7-10H2,1-2H3,(H,21,22)
InChIKeyFSHFMFQPSOZOSE-UHFFFAOYSA-N
XLogP4.93
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.38
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 35348252
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 55536470
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone
CID 37437294
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one
CID 33116238
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone
CID 138034009
[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-chloro-5-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 124879507
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 33119811
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 55688096
2-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108762237
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone
CID 33112285
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)propan-1-one
CID 55576338

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)methanone (CID 71827914) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)methanone is CC(C)c1sc(Br)nc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is FSHFMFQPSOZOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4OS/c1-11(2)16-15(23-19(20)26-16)18(25)24-9-7-12(8-10-24)17-21-13-5-3-4-6-14(13)22-17/h3-6,11-12H,7-10H2,1-2H3,(H,21,22).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)methanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 433.38 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 71827914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).