2-[(3S)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-1-yl]-1H-benzimidazole

C22H26ClN5 — CID 143256047

IUPAC2-[(3S)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-1-yl]-1H-benzimidazole
SMILESClc1ccc(CN2CCN([C@H]3CCN(c4nc5ccccc5[nH]4)C3)CC2)cc1
InChIInChI=1S/C22H26ClN5/c23-18-7-5-17(6-8-18)15-26-11-13-27(14-12-26)19-9-10-28(16-19)22-24-20-3-1-2-4-21(20)25-22/h1-8,19H,9-16H2,(H,24,25)/t19-/m0/s1
InChIKeyYZWMGNBODVJIRD-IBGZPJMESA-N
MW395.94 g/mol
LogP3.61
Rot. Bonds4

About 2-[(3S)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-1-yl]-1H-benzimidazole

2-[(3S)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-1-yl]-1H-benzimidazole (PubChem CID 143256047) has the molecular formula C22H26ClN5 and a molecular weight of 395.94 g/mol. Its IUPAC name is 2-[(3S)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(3S)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-1-yl]-1H-benzimidazole
PubChem CID143256047
Molecular FormulaC22H26ClN5
Molecular Weight395.94 g/mol
Exact Mass395.19
IUPAC Name2-[(3S)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-1-yl]-1H-benzimidazole
SMILESClc1ccc(CN2CCN([C@H]3CCN(c4nc5ccccc5[nH]4)C3)CC2)cc1
InChIInChI=1S/C22H26ClN5/c23-18-7-5-17(6-8-18)15-26-11-13-27(14-12-26)19-9-10-28(16-19)22-24-20-3-1-2-4-21(20)25-22/h1-8,19H,9-16H2,(H,24,25)/t19-/m0/s1
InChIKeyYZWMGNBODVJIRD-IBGZPJMESA-N
XLogP3.61
TPSA38.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.94
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3S)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-1-yl]-1H-benzimidazole with MolForge

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

Launch Full Analysis

Related Compounds

1-(1H-benzimidazol-2-yl)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol
CID 66968497
1-[(4-chlorophenyl)methyl]-4-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]piperazine
CID 143255957
1-(1H-benzimidazol-2-yl)-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 46359001
2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]-1H-benzimidazole
CID 126893831
5-[[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]methyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 86885567
2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole
CID 133409902
1-(1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120963990
2-[4-(2-chloroethyl)piperazin-1-yl]-1H-benzimidazole
CID 63392230
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol
CID 112627764
2-[4-(oxan-4-yl)-1,4-diazepan-1-yl]-1H-benzimidazole
CID 133410388
2-[3-(triazol-1-ylmethyl)piperidin-1-yl]-1H-benzimidazole
CID 133411160

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-1-yl]-1H-benzimidazole?
The IUPAC name of 2-[(3S)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-1-yl]-1H-benzimidazole (CID 143256047) is 2-[(3S)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-1-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[(3S)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-1-yl]-1H-benzimidazole?
The canonical SMILES for 2-[(3S)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-1-yl]-1H-benzimidazole is Clc1ccc(CN2CCN([C@H]3CCN(c4nc5ccccc5[nH]4)C3)CC2)cc1.
What is the InChIKey of 2-[(3S)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-1-yl]-1H-benzimidazole?
The InChIKey is YZWMGNBODVJIRD-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26ClN5/c23-18-7-5-17(6-8-18)15-26-11-13-27(14-12-26)19-9-10-28(16-19)22-24-20-3-1-2-4-21(20)25-22/h1-8,19H,9-16H2,(H,24,25)/t19-/m0/s1.
What are the key properties of 2-[(3S)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-1-yl]-1H-benzimidazole?
2-[(3S)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-1-yl]-1H-benzimidazole has a molecular weight of 395.94 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-1-yl]-1H-benzimidazole is sourced from PubChem (CID 143256047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).