5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole

C18H22N4S — CID 92628816

IUPAC5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)s1
InChIInChI=1S/C18H22N4S/c1-13-19-10-15(23-13)12-22-8-4-5-14(11-22)9-18-20-16-6-2-3-7-17(16)21-18/h2-3,6-7,10,14H,4-5,8-9,11-12H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyFFODLXNFERIEFX-AWEZNQCLSA-N
MW326.47 g/mol
LogP3.78
Rot. Bonds4

About 5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole

5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 92628816) has the molecular formula C18H22N4S and a molecular weight of 326.47 g/mol. Its IUPAC name is 5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID92628816
Molecular FormulaC18H22N4S
Molecular Weight326.47 g/mol
Exact Mass326.16
IUPAC Name5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)s1
InChIInChI=1S/C18H22N4S/c1-13-19-10-15(23-13)12-22-8-4-5-14(11-22)9-18-20-16-6-2-3-7-17(16)21-18/h2-3,6-7,10,14H,4-5,8-9,11-12H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyFFODLXNFERIEFX-AWEZNQCLSA-N
XLogP3.78
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
2-[[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
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2-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
CID 93242524
5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]quinoxaline
CID 95728190
1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 61204225
2-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 134702211
4-[4-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]pyrimidin-2-yl]morpholine
CID 92612884
N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241392
2-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-benzimidazole
CID 46981224
2-[3-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]ethanamine
CID 56900334
2-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]-1H-benzimidazole
CID 91837439
1-[4-[[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]pyrrolidin-2-one
CID 93242474

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole (CID 92628816) is 5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole is Cc1ncc(CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)s1.
What is the InChIKey of 5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is FFODLXNFERIEFX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N4S/c1-13-19-10-15(23-13)12-22-8-4-5-14(11-22)9-18-20-16-6-2-3-7-17(16)21-18/h2-3,6-7,10,14H,4-5,8-9,11-12H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of 5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole?
5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 326.47 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 92628816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).