1-[(4-chlorophenyl)methyl]-2-(1,5-diazocan-1-yl)benzimidazole

C20H23ClN4 — CID 19957526

IUPAC1-[(4-chlorophenyl)methyl]-2-(1,5-diazocan-1-yl)benzimidazole
SMILESClc1ccc(Cn2c(N3CCCNCCC3)nc3ccccc32)cc1
InChIInChI=1S/C20H23ClN4/c21-17-9-7-16(8-10-17)15-25-19-6-2-1-5-18(19)23-20(25)24-13-3-11-22-12-4-14-24/h1-2,5-10,22H,3-4,11-15H2
InChIKeyXLDATKPWAGIVNH-UHFFFAOYSA-N
MW354.88 g/mol
LogP3.93
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-2-(1,5-diazocan-1-yl)benzimidazole

1-[(4-chlorophenyl)methyl]-2-(1,5-diazocan-1-yl)benzimidazole (PubChem CID 19957526) has the molecular formula C20H23ClN4 and a molecular weight of 354.88 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-(1,5-diazocan-1-yl)benzimidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-(1,5-diazocan-1-yl)benzimidazole
PubChem CID19957526
Molecular FormulaC20H23ClN4
Molecular Weight354.88 g/mol
Exact Mass354.16
IUPAC Name1-[(4-chlorophenyl)methyl]-2-(1,5-diazocan-1-yl)benzimidazole
SMILESClc1ccc(Cn2c(N3CCCNCCC3)nc3ccccc32)cc1
InChIInChI=1S/C20H23ClN4/c21-17-9-7-16(8-10-17)15-25-19-6-2-1-5-18(19)23-20(25)24-13-3-11-22-12-4-14-24/h1-2,5-10,22H,3-4,11-15H2
InChIKeyXLDATKPWAGIVNH-UHFFFAOYSA-N
XLogP3.93
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-chlorophenyl)methyl]-2-(1,5-diazocan-1-yl)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-[(3-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)benzimidazole
CID 71646483
2-[2-(1,4-diazepan-1-yl)benzimidazol-1-yl]ethanol;hydroiodide
CID 86583903
2-(2-piperazin-1-ylbenzimidazol-1-yl)ethanamine
CID 83417374
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole
CID 22636344
(3S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol
CID 97114323
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydroiodide
CID 134350366
4-[[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]benzimidazol-1-yl]methyl]benzonitrile
CID 97169609
1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-4-ol
CID 71649830
(3R)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol
CID 97169373
1-[2-(cyclopropylmethoxy)ethyl]-2-(1,4-diazepan-1-yl)benzimidazole
CID 18464495
1-[1-[(4-chloro-3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-amine
CID 155142908
1-[(4-chlorophenyl)methyl]-2-[dideuterio(pyrrolidin-1-yl)methyl]benzimidazole
CID 46940214

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-(1,5-diazocan-1-yl)benzimidazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-(1,5-diazocan-1-yl)benzimidazole (CID 19957526) is 1-[(4-chlorophenyl)methyl]-2-(1,5-diazocan-1-yl)benzimidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-(1,5-diazocan-1-yl)benzimidazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-(1,5-diazocan-1-yl)benzimidazole is Clc1ccc(Cn2c(N3CCCNCCC3)nc3ccccc32)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-(1,5-diazocan-1-yl)benzimidazole?
The InChIKey is XLDATKPWAGIVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4/c21-17-9-7-16(8-10-17)15-25-19-6-2-1-5-18(19)23-20(25)24-13-3-11-22-12-4-14-24/h1-2,5-10,22H,3-4,11-15H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-(1,5-diazocan-1-yl)benzimidazole?
1-[(4-chlorophenyl)methyl]-2-(1,5-diazocan-1-yl)benzimidazole has a molecular weight of 354.88 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-(1,5-diazocan-1-yl)benzimidazole is sourced from PubChem (CID 19957526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).