4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole

C23H24N4OS — CID 146087786

IUPAC4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole
SMILESCOc1cccc(-c2nc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cs2)c1
InChIInChI=1S/C23H24N4OS/c1-28-19-6-4-5-17(13-19)23-24-18(15-29-23)14-27-11-9-16(10-12-27)22-25-20-7-2-3-8-21(20)26-22/h2-8,13,15-16H,9-12,14H2,1H3,(H,25,26)
InChIKeyPWIKYHKRORVBKE-UHFFFAOYSA-N
MW404.54 g/mol
LogP5.07
Rot. Bonds5

About 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole

4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole (PubChem CID 146087786) has the molecular formula C23H24N4OS and a molecular weight of 404.54 g/mol. Its IUPAC name is 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole
PubChem CID146087786
Molecular FormulaC23H24N4OS
Molecular Weight404.54 g/mol
Exact Mass404.17
IUPAC Name4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole
SMILESCOc1cccc(-c2nc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cs2)c1
InChIInChI=1S/C23H24N4OS/c1-28-19-6-4-5-17(13-19)23-24-18(15-29-23)14-27-11-9-16(10-12-27)22-25-20-7-2-3-8-21(20)26-22/h2-8,13,15-16H,9-12,14H2,1H3,(H,25,26)
InChIKeyPWIKYHKRORVBKE-UHFFFAOYSA-N
XLogP5.07
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole with MolForge

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Related Compounds

1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119907156
[1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanone
CID 51326235
1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-one
CID 8934402
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-6-methoxy-3-phenylquinoxaline
CID 51049798
2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole
CID 16798070
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 33121432
4-[[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-2-(3-nitrophenyl)-1,3-thiazole
CID 86806756
4-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 38132380
2-[3-(4-ethoxyphenyl)phenyl]-4-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazole
CID 24720751
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(3-methoxyphenyl)-3-pyridinyl]methanone
CID 46851997
4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 17375794
2-(3-methoxyphenyl)-4-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 33458433

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole (CID 146087786) is 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole is COc1cccc(-c2nc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cs2)c1.
What is the InChIKey of 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole?
The InChIKey is PWIKYHKRORVBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4OS/c1-28-19-6-4-5-17(13-19)23-24-18(15-29-23)14-27-11-9-16(10-12-27)22-25-20-7-2-3-8-21(20)26-22/h2-8,13,15-16H,9-12,14H2,1H3,(H,25,26).
What are the key properties of 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole?
4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole has a molecular weight of 404.54 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 146087786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).