2-[1-[(5-pyrazolidin-3-ylthiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole

C20H25N5S — CID 134127852

IUPAC2-[1-[(5-pyrazolidin-3-ylthiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(C3CCN(Cc4ccc(C5CCNN5)s4)CC3)nc2c1
InChIInChI=1S/C20H25N5S/c1-2-4-17-16(3-1)22-20(23-17)14-8-11-25(12-9-14)13-15-5-6-19(26-15)18-7-10-21-24-18/h1-6,14,18,21,24H,7-13H2,(H,22,23)
InChIKeyJNDUDWIHZDQRJN-UHFFFAOYSA-N
MW367.52 g/mol
LogP3.54
Rot. Bonds4

About 2-[1-[(5-pyrazolidin-3-ylthiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole

2-[1-[(5-pyrazolidin-3-ylthiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole (PubChem CID 134127852) has the molecular formula C20H25N5S and a molecular weight of 367.52 g/mol. Its IUPAC name is 2-[1-[(5-pyrazolidin-3-ylthiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[(5-pyrazolidin-3-ylthiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
PubChem CID134127852
Molecular FormulaC20H25N5S
Molecular Weight367.52 g/mol
Exact Mass367.18
IUPAC Name2-[1-[(5-pyrazolidin-3-ylthiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(C3CCN(Cc4ccc(C5CCNN5)s4)CC3)nc2c1
InChIInChI=1S/C20H25N5S/c1-2-4-17-16(3-1)22-20(23-17)14-8-11-25(12-9-14)13-15-5-6-19(26-15)18-7-10-21-24-18/h1-6,14,18,21,24H,7-13H2,(H,22,23)
InChIKeyJNDUDWIHZDQRJN-UHFFFAOYSA-N
XLogP3.54
TPSA55.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 24731939
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-[1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 74246859
2-(1-butylpiperidin-4-yl)-1H-benzimidazole
CID 150629700
3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol
CID 111112410
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline
CID 51049790
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 56787398
2-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole
CID 24731793
4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(4-chlorophenyl)-5-methyl-1,3-oxazole
CID 42530326
2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 135290527
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-pyrazolidin-3-ylthiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-[(5-pyrazolidin-3-ylthiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole (CID 134127852) is 2-[1-[(5-pyrazolidin-3-ylthiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-[(5-pyrazolidin-3-ylthiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-[(5-pyrazolidin-3-ylthiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole is c1ccc2[nH]c(C3CCN(Cc4ccc(C5CCNN5)s4)CC3)nc2c1.
What is the InChIKey of 2-[1-[(5-pyrazolidin-3-ylthiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole?
The InChIKey is JNDUDWIHZDQRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5S/c1-2-4-17-16(3-1)22-20(23-17)14-8-11-25(12-9-14)13-15-5-6-19(26-15)18-7-10-21-24-18/h1-6,14,18,21,24H,7-13H2,(H,22,23).
What are the key properties of 2-[1-[(5-pyrazolidin-3-ylthiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole?
2-[1-[(5-pyrazolidin-3-ylthiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole has a molecular weight of 367.52 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-pyrazolidin-3-ylthiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 134127852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).