2-(4-phenylphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrochloride

C28H30Cl2N4 — CID 2858997

IUPAC2-(4-phenylphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrochloride
SMILESCl.Cl.c1ccc(-c2ccc(-c3cn4c5ccccc5n(CCN5CCCCC5)c4n3)cc2)cc1
InChIInChI=1S/C28H28N4.2ClH/c1-3-9-22(10-4-1)23-13-15-24(16-14-23)25-21-32-27-12-6-5-11-26(27)31(28(32)29-25)20-19-30-17-7-2-8-18-30;;/h1,3-6,9-16,21H,2,7-8,17-20H2;2*1H
InChIKeyZTKSSMKQKOGNPW-UHFFFAOYSA-N
MW493.48 g/mol
LogP6.95
Rot. Bonds5

About 2-(4-phenylphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrochloride

2-(4-phenylphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrochloride (PubChem CID 2858997) has the molecular formula C28H30Cl2N4 and a molecular weight of 493.48 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrochloride.

Molecular Properties

Compound Name2-(4-phenylphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrochloride
PubChem CID2858997
Molecular FormulaC28H30Cl2N4
Molecular Weight493.48 g/mol
Exact Mass492.18
IUPAC Name2-(4-phenylphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrochloride
SMILESCl.Cl.c1ccc(-c2ccc(-c3cn4c5ccccc5n(CCN5CCCCC5)c4n3)cc2)cc1
InChIInChI=1S/C28H28N4.2ClH/c1-3-9-22(10-4-1)23-13-15-24(16-14-23)25-21-32-27-12-6-5-11-26(27)31(28(32)29-25)20-19-30-17-7-2-8-18-30;;/h1,3-6,9-16,21H,2,7-8,17-20H2;2*1H
InChIKeyZTKSSMKQKOGNPW-UHFFFAOYSA-N
XLogP6.95
TPSA25.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.48
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrochloride?
The IUPAC name of 2-(4-phenylphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrochloride (CID 2858997) is 2-(4-phenylphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrochloride.
What is the SMILES notation for 2-(4-phenylphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrochloride?
The canonical SMILES for 2-(4-phenylphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrochloride is Cl.Cl.c1ccc(-c2ccc(-c3cn4c5ccccc5n(CCN5CCCCC5)c4n3)cc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrochloride?
The InChIKey is ZTKSSMKQKOGNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4.2ClH/c1-3-9-22(10-4-1)23-13-15-24(16-14-23)25-21-32-27-12-6-5-11-26(27)31(28(32)29-25)20-19-30-17-7-2-8-18-30;;/h1,3-6,9-16,21H,2,7-8,17-20H2;2*1H.
What are the key properties of 2-(4-phenylphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrochloride?
2-(4-phenylphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrochloride has a molecular weight of 493.48 g/mol, XLogP of 6.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrochloride is sourced from PubChem (CID 2858997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).