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

C17H19ClN4S — CID 18190414

IUPAC1-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]benzimidazole
SMILESClc1ccc(CN2CCN(Cn3cnc4ccccc43)CC2)s1
InChIInChI=1S/C17H19ClN4S/c18-17-6-5-14(23-17)11-20-7-9-21(10-8-20)13-22-12-19-15-3-1-2-4-16(15)22/h1-6,12H,7-11,13H2
InChIKeySRXWWNOHLCKVKB-UHFFFAOYSA-N
MW346.89 g/mol
LogP3.53
Rot. Bonds4

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

1-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]benzimidazole (PubChem CID 18190414) has the molecular formula C17H19ClN4S and a molecular weight of 346.89 g/mol. Its IUPAC name is 1-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]benzimidazole
PubChem CID18190414
Molecular FormulaC17H19ClN4S
Molecular Weight346.89 g/mol
Exact Mass346.10
IUPAC Name1-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]benzimidazole
SMILESClc1ccc(CN2CCN(Cn3cnc4ccccc43)CC2)s1
InChIInChI=1S/C17H19ClN4S/c18-17-6-5-14(23-17)11-20-7-9-21(10-8-20)13-22-12-19-15-3-1-2-4-16(15)22/h1-6,12H,7-11,13H2
InChIKeySRXWWNOHLCKVKB-UHFFFAOYSA-N
XLogP3.53
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.89
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]benzimidazole?
The IUPAC name of 1-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]benzimidazole (CID 18190414) is 1-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]benzimidazole.
What is the SMILES notation for 1-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]benzimidazole?
The canonical SMILES for 1-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]benzimidazole is Clc1ccc(CN2CCN(Cn3cnc4ccccc43)CC2)s1.
What is the InChIKey of 1-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]benzimidazole?
The InChIKey is SRXWWNOHLCKVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4S/c18-17-6-5-14(23-17)11-20-7-9-21(10-8-20)13-22-12-19-15-3-1-2-4-16(15)22/h1-6,12H,7-11,13H2.
What are the key properties of 1-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]benzimidazole?
1-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]benzimidazole has a molecular weight of 346.89 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]benzimidazole is sourced from PubChem (CID 18190414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).