2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole

C17H18ClN3S — CID 24731939

IUPAC2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
SMILESClc1ccc(CN2CCC(c3nc4ccccc4[nH]3)CC2)s1
InChIInChI=1S/C17H18ClN3S/c18-16-6-5-13(22-16)11-21-9-7-12(8-10-21)17-19-14-3-1-2-4-15(14)20-17/h1-6,12H,7-11H2,(H,19,20)
InChIKeyKCZWMFZLIAWTHD-UHFFFAOYSA-N
MW331.87 g/mol
LogP4.66
Rot. Bonds3

About 2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole

2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole (PubChem CID 24731939) has the molecular formula C17H18ClN3S and a molecular weight of 331.87 g/mol. Its IUPAC name is 2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
PubChem CID24731939
Molecular FormulaC17H18ClN3S
Molecular Weight331.87 g/mol
Exact Mass331.09
IUPAC Name2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
SMILESClc1ccc(CN2CCC(c3nc4ccccc4[nH]3)CC2)s1
InChIInChI=1S/C17H18ClN3S/c18-16-6-5-13(22-16)11-21-9-7-12(8-10-21)17-19-14-3-1-2-4-15(14)20-17/h1-6,12H,7-11H2,(H,19,20)
InChIKeyKCZWMFZLIAWTHD-UHFFFAOYSA-N
XLogP4.66
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(5-pyrazolidin-3-ylthiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 134127852
5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897963
2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole
CID 16798070
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline
CID 51049790
2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 135290527
4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(4-chlorophenyl)-5-methyl-1,3-oxazole
CID 42530326
2-(1-butylpiperidin-4-yl)-1H-benzimidazole
CID 150629700
3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol
CID 111112410
2-[1-(2-phenylpropyl)piperidin-4-yl]-1H-benzimidazole
CID 10087324
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 56787398
2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 51137111
2-[1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 74246859

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole (CID 24731939) is 2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole is Clc1ccc(CN2CCC(c3nc4ccccc4[nH]3)CC2)s1.
What is the InChIKey of 2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole?
The InChIKey is KCZWMFZLIAWTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3S/c18-16-6-5-13(22-16)11-21-9-7-12(8-10-21)17-19-14-3-1-2-4-15(14)20-17/h1-6,12H,7-11H2,(H,19,20).
What are the key properties of 2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole?
2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole has a molecular weight of 331.87 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 24731939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).