6-[1-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]benzimidazol-2-yl]quinoline

C27H23N5S — CID 53382920

IUPAC6-[1-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]benzimidazol-2-yl]quinoline
SMILESCSCCC(c1nc2ccccc2[nH]1)n1c(-c2ccc3ncccc3c2)nc2ccccc21
InChIInChI=1S/C27H23N5S/c1-33-16-14-25(26-29-21-8-2-3-9-22(21)30-26)32-24-11-5-4-10-23(24)31-27(32)19-12-13-20-18(17-19)7-6-15-28-20/h2-13,15,17,25H,14,16H2,1H3,(H,29,30)
InChIKeyGKNRRUGPQFNDKA-UHFFFAOYSA-N
MW449.58 g/mol
LogP6.47
Rot. Bonds6

About 6-[1-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]benzimidazol-2-yl]quinoline

6-[1-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]benzimidazol-2-yl]quinoline (PubChem CID 53382920) has the molecular formula C27H23N5S and a molecular weight of 449.58 g/mol. Its IUPAC name is 6-[1-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]benzimidazol-2-yl]quinoline.

Molecular Properties

Compound Name6-[1-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]benzimidazol-2-yl]quinoline
PubChem CID53382920
Molecular FormulaC27H23N5S
Molecular Weight449.58 g/mol
Exact Mass449.17
IUPAC Name6-[1-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]benzimidazol-2-yl]quinoline
SMILESCSCCC(c1nc2ccccc2[nH]1)n1c(-c2ccc3ncccc3c2)nc2ccccc21
InChIInChI=1S/C27H23N5S/c1-33-16-14-25(26-29-21-8-2-3-9-22(21)30-26)32-24-11-5-4-10-23(24)31-27(32)19-12-13-20-18(17-19)7-6-15-28-20/h2-13,15,17,25H,14,16H2,1H3,(H,29,30)
InChIKeyGKNRRUGPQFNDKA-UHFFFAOYSA-N
XLogP6.47
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.58
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[1-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]benzimidazol-2-yl]quinoline 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)-3-methylsulfanylpropan-1-amine
CID 2771995
1-[1-(1H-benzimidazol-2-yl)propyl]-2-pyrazin-2-ylbenzimidazole
CID 53382924
[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]azanium
CID 7008936
[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]azanium
CID 7008937
1-[1-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]benzotriazol-4-yl]-N,N-dimethylethanamine
CID 22391636
2-[2-(3,4-dichlorophenyl)benzimidazol-1-yl]-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 101112971
N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-indol-1-ylacetamide
CID 124627084
6-[3-methyl-5-(1-phenylbenzimidazol-2-yl)phenyl]quinoline
CID 144553961
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(3,4-dimethylphenyl)acetamide
CID 4807149
4-propan-2-yl-3-quinolin-6-yl-1H-1,2,4-triazole-5-thione
CID 115390219
6-(3-methylphenyl)quinoline
CID 4185278
N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97137654

Frequently Asked Questions

What is the IUPAC name of 6-[1-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]benzimidazol-2-yl]quinoline?
The IUPAC name of 6-[1-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]benzimidazol-2-yl]quinoline (CID 53382920) is 6-[1-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]benzimidazol-2-yl]quinoline.
What is the SMILES notation for 6-[1-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]benzimidazol-2-yl]quinoline?
The canonical SMILES for 6-[1-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]benzimidazol-2-yl]quinoline is CSCCC(c1nc2ccccc2[nH]1)n1c(-c2ccc3ncccc3c2)nc2ccccc21.
What is the InChIKey of 6-[1-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]benzimidazol-2-yl]quinoline?
The InChIKey is GKNRRUGPQFNDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5S/c1-33-16-14-25(26-29-21-8-2-3-9-22(21)30-26)32-24-11-5-4-10-23(24)31-27(32)19-12-13-20-18(17-19)7-6-15-28-20/h2-13,15,17,25H,14,16H2,1H3,(H,29,30).
What are the key properties of 6-[1-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]benzimidazol-2-yl]quinoline?
6-[1-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]benzimidazol-2-yl]quinoline has a molecular weight of 449.58 g/mol, XLogP of 6.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]benzimidazol-2-yl]quinoline is sourced from PubChem (CID 53382920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).