N-[3-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]cyclohexanamine;dihydrochloride

C24H29Cl3N4 — CID 2868552

IUPACN-[3-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]cyclohexanamine;dihydrochloride
SMILESCl.Cl.Clc1ccc(-c2cn3c4ccccc4nc3n2CCCNC2CCCCC2)cc1
InChIInChI=1S/C24H27ClN4.2ClH/c25-19-13-11-18(12-14-19)23-17-29-22-10-5-4-9-21(22)27-24(29)28(23)16-6-15-26-20-7-2-1-3-8-20;;/h4-5,9-14,17,20,26H,1-3,6-8,15-16H2;2*1H
InChIKeyVMIIVGQDTWSKSI-UHFFFAOYSA-N
MW479.88 g/mol
LogP6.77
Rot. Bonds6

About N-[3-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]cyclohexanamine;dihydrochloride

N-[3-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]cyclohexanamine;dihydrochloride (PubChem CID 2868552) has the molecular formula C24H29Cl3N4 and a molecular weight of 479.88 g/mol. Its IUPAC name is N-[3-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]cyclohexanamine;dihydrochloride.

Molecular Properties

Compound NameN-[3-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]cyclohexanamine;dihydrochloride
PubChem CID2868552
Molecular FormulaC24H29Cl3N4
Molecular Weight479.88 g/mol
Exact Mass478.15
IUPAC NameN-[3-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]cyclohexanamine;dihydrochloride
SMILESCl.Cl.Clc1ccc(-c2cn3c4ccccc4nc3n2CCCNC2CCCCC2)cc1
InChIInChI=1S/C24H27ClN4.2ClH/c25-19-13-11-18(12-14-19)23-17-29-22-10-5-4-9-21(22)27-24(29)28(23)16-6-15-26-20-7-2-1-3-8-20;;/h4-5,9-14,17,20,26H,1-3,6-8,15-16H2;2*1H
InChIKeyVMIIVGQDTWSKSI-UHFFFAOYSA-N
XLogP6.77
TPSA34.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.88
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]cyclohexanamine;dihydrochloride?
The IUPAC name of N-[3-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]cyclohexanamine;dihydrochloride (CID 2868552) is N-[3-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]cyclohexanamine;dihydrochloride.
What is the SMILES notation for N-[3-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]cyclohexanamine;dihydrochloride?
The canonical SMILES for N-[3-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]cyclohexanamine;dihydrochloride is Cl.Cl.Clc1ccc(-c2cn3c4ccccc4nc3n2CCCNC2CCCCC2)cc1.
What is the InChIKey of N-[3-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]cyclohexanamine;dihydrochloride?
The InChIKey is VMIIVGQDTWSKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4.2ClH/c25-19-13-11-18(12-14-19)23-17-29-22-10-5-4-9-21(22)27-24(29)28(23)16-6-15-26-20-7-2-1-3-8-20;;/h4-5,9-14,17,20,26H,1-3,6-8,15-16H2;2*1H.
What are the key properties of N-[3-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]cyclohexanamine;dihydrochloride?
N-[3-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]cyclohexanamine;dihydrochloride has a molecular weight of 479.88 g/mol, XLogP of 6.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]cyclohexanamine;dihydrochloride is sourced from PubChem (CID 2868552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).