2-(4-chlorophenyl)-3-(3-chloropropyl)imidazo[1,2-a]benzimidazole

C18H15Cl2N3 — CID 3374476

IUPAC2-(4-chlorophenyl)-3-(3-chloropropyl)imidazo[1,2-a]benzimidazole
SMILESClCCCn1c(-c2ccc(Cl)cc2)cn2c3ccccc3nc12
InChIInChI=1S/C18H15Cl2N3/c19-10-3-11-22-17(13-6-8-14(20)9-7-13)12-23-16-5-2-1-4-15(16)21-18(22)23/h1-2,4-9,12H,3,10-11H2
InChIKeyTVZFOTDIIIUTGW-UHFFFAOYSA-N
MW344.25 g/mol
LogP5.24
Rot. Bonds4

About 2-(4-chlorophenyl)-3-(3-chloropropyl)imidazo[1,2-a]benzimidazole

2-(4-chlorophenyl)-3-(3-chloropropyl)imidazo[1,2-a]benzimidazole (PubChem CID 3374476) has the molecular formula C18H15Cl2N3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(3-chloropropyl)imidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(3-chloropropyl)imidazo[1,2-a]benzimidazole
PubChem CID3374476
Molecular FormulaC18H15Cl2N3
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC Name2-(4-chlorophenyl)-3-(3-chloropropyl)imidazo[1,2-a]benzimidazole
SMILESClCCCn1c(-c2ccc(Cl)cc2)cn2c3ccccc3nc12
InChIInChI=1S/C18H15Cl2N3/c19-10-3-11-22-17(13-6-8-14(20)9-7-13)12-23-16-5-2-1-4-15(16)21-18(22)23/h1-2,4-9,12H,3,10-11H2
InChIKeyTVZFOTDIIIUTGW-UHFFFAOYSA-N
XLogP5.24
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.25
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]cyclohexanamine;dihydrochloride
CID 2868552
2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl-cyclohexylazanium
CID 7335047
2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]acetohydrazide
CID 102594426
1-(4-chlorobutyl)-2-(4-chlorophenyl)benzimidazole
CID 68599548
2-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethanol
CID 1068607
diethyl-[3-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]azanium
CID 6985044
3-(2-chloroethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole
CID 3721323
3-benzyl-2-(4-ethylphenyl)imidazo[1,2-a]benzimidazole
CID 86304029
2-(4-ethylphenyl)-3-(2-methoxyethyl)imidazo[1,2-a]benzimidazole
CID 86304031
2-[2-(4-ethylphenyl)imidazo[1,2-a]benzimidazol-3-yl]-N-methylethanamine
CID 86303576
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine
CID 749145
N-[2-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]cyclohexanamine
CID 1121243

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(3-chloropropyl)imidazo[1,2-a]benzimidazole?
The IUPAC name of 2-(4-chlorophenyl)-3-(3-chloropropyl)imidazo[1,2-a]benzimidazole (CID 3374476) is 2-(4-chlorophenyl)-3-(3-chloropropyl)imidazo[1,2-a]benzimidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(3-chloropropyl)imidazo[1,2-a]benzimidazole?
The canonical SMILES for 2-(4-chlorophenyl)-3-(3-chloropropyl)imidazo[1,2-a]benzimidazole is ClCCCn1c(-c2ccc(Cl)cc2)cn2c3ccccc3nc12.
What is the InChIKey of 2-(4-chlorophenyl)-3-(3-chloropropyl)imidazo[1,2-a]benzimidazole?
The InChIKey is TVZFOTDIIIUTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3/c19-10-3-11-22-17(13-6-8-14(20)9-7-13)12-23-16-5-2-1-4-15(16)21-18(22)23/h1-2,4-9,12H,3,10-11H2.
What are the key properties of 2-(4-chlorophenyl)-3-(3-chloropropyl)imidazo[1,2-a]benzimidazole?
2-(4-chlorophenyl)-3-(3-chloropropyl)imidazo[1,2-a]benzimidazole has a molecular weight of 344.25 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(3-chloropropyl)imidazo[1,2-a]benzimidazole is sourced from PubChem (CID 3374476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).