2-[[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole

C18H21N3S — CID 95725288

IUPAC2-[[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
SMILESc1ccc2[nH]c(C[C@@H]3CCCN(Cc4ccsc4)C3)nc2c1
InChIInChI=1S/C18H21N3S/c1-2-6-17-16(5-1)19-18(20-17)10-14-4-3-8-21(11-14)12-15-7-9-22-13-15/h1-2,5-7,9,13-14H,3-4,8,10-12H2,(H,19,20)/t14-/m0/s1
InChIKeyQLGMAMFYLYOTSM-AWEZNQCLSA-N
MW311.45 g/mol
LogP4.08
Rot. Bonds4

About 2-[[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole

2-[[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole (PubChem CID 95725288) has the molecular formula C18H21N3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-[[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
PubChem CID95725288
Molecular FormulaC18H21N3S
Molecular Weight311.45 g/mol
Exact Mass311.15
IUPAC Name2-[[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
SMILESc1ccc2[nH]c(C[C@@H]3CCCN(Cc4ccsc4)C3)nc2c1
InChIInChI=1S/C18H21N3S/c1-2-6-17-16(5-1)19-18(20-17)10-14-4-3-8-21(11-14)12-15-7-9-22-13-15/h1-2,5-7,9,13-14H,3-4,8,10-12H2,(H,19,20)/t14-/m0/s1
InChIKeyQLGMAMFYLYOTSM-AWEZNQCLSA-N
XLogP4.08
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
2-[3-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]ethanamine
CID 56900334
5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 92628816
1-[4-[[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]pyrrolidin-2-one
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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
2-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 134702211
1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 61204225
2-[4-(1H-benzimidazol-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 45186034
N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241392
2-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]-1H-benzimidazole
CID 91837439
4-[4-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]pyrimidin-2-yl]morpholine
CID 92612884

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole (CID 95725288) is 2-[[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole is c1ccc2[nH]c(C[C@@H]3CCCN(Cc4ccsc4)C3)nc2c1.
What is the InChIKey of 2-[[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole?
The InChIKey is QLGMAMFYLYOTSM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N3S/c1-2-6-17-16(5-1)19-18(20-17)10-14-4-3-8-21(11-14)12-15-7-9-22-13-15/h1-2,5-7,9,13-14H,3-4,8,10-12H2,(H,19,20)/t14-/m0/s1.
What are the key properties of 2-[[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole?
2-[[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole has a molecular weight of 311.45 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 95725288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).