[4-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone

C18H19ClN4OS — CID 171385765

IUPAC[4-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(CCc2nc3ccc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C18H19ClN4OS/c19-13-3-4-14-15(12-13)21-17(20-14)5-6-22-7-9-23(10-8-22)18(24)16-2-1-11-25-16/h1-4,11-12H,5-10H2,(H,20,21)
InChIKeyJCRAXXBOQDRFOI-UHFFFAOYSA-N
MW374.90 g/mol
LogP3.28
Rot. Bonds4

About [4-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone

[4-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 171385765) has the molecular formula C18H19ClN4OS and a molecular weight of 374.90 g/mol. Its IUPAC name is [4-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID171385765
Molecular FormulaC18H19ClN4OS
Molecular Weight374.90 g/mol
Exact Mass374.10
IUPAC Name[4-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(CCc2nc3ccc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C18H19ClN4OS/c19-13-3-4-14-15(12-13)21-17(20-14)5-6-22-7-9-23(10-8-22)18(24)16-2-1-11-25-16/h1-4,11-12H,5-10H2,(H,20,21)
InChIKeyJCRAXXBOQDRFOI-UHFFFAOYSA-N
XLogP3.28
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.90
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone with MolForge

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Related Compounds

[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 110412017
[4-[(4-amino-7-chloroquinazolin-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 118755332
(4-methoxyphenyl)-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 171914202
[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 84580369
N-(2,4-dichlorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 17491103
[4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 47446108
6-chloro-2-[6-(6-chloro-1H-benzimidazol-2-yl)hexyl]-1H-benzimidazole
CID 23276808
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 17414280
1-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-[(4-chlorophenyl)methyl]-3,3-dimethylpiperidin-4-ol
CID 46840648
2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9022679
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-4-piperidin-1-ylbutanamide
CID 72932463
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627

Frequently Asked Questions

What is the IUPAC name of [4-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 171385765) is [4-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(CCc2nc3ccc(Cl)cc3[nH]2)CC1.
What is the InChIKey of [4-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is JCRAXXBOQDRFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4OS/c19-13-3-4-14-15(12-13)21-17(20-14)5-6-22-7-9-23(10-8-22)18(24)16-2-1-11-25-16/h1-4,11-12H,5-10H2,(H,20,21).
What are the key properties of [4-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 374.90 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 171385765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).