2-[1-(1H-benzimidazol-2-yl)-3-(3,5-dimethylphenyl)propan-2-yl]-1H-benzimidazole

C25H24N4 — CID 3094795

IUPAC2-[1-(1H-benzimidazol-2-yl)-3-(3,5-dimethylphenyl)propan-2-yl]-1H-benzimidazole
SMILESCc1cc(C)cc(CC(Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C25H24N4/c1-16-11-17(2)13-18(12-16)14-19(25-28-22-9-5-6-10-23(22)29-25)15-24-26-20-7-3-4-8-21(20)27-24/h3-13,19H,14-15H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyKOUSZODOLMDLOR-UHFFFAOYSA-N
MW380.50 g/mol
LogP5.63
Rot. Bonds5

About 2-[1-(1H-benzimidazol-2-yl)-3-(3,5-dimethylphenyl)propan-2-yl]-1H-benzimidazole

2-[1-(1H-benzimidazol-2-yl)-3-(3,5-dimethylphenyl)propan-2-yl]-1H-benzimidazole (PubChem CID 3094795) has the molecular formula C25H24N4 and a molecular weight of 380.50 g/mol. Its IUPAC name is 2-[1-(1H-benzimidazol-2-yl)-3-(3,5-dimethylphenyl)propan-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(1H-benzimidazol-2-yl)-3-(3,5-dimethylphenyl)propan-2-yl]-1H-benzimidazole
PubChem CID3094795
Molecular FormulaC25H24N4
Molecular Weight380.50 g/mol
Exact Mass380.20
IUPAC Name2-[1-(1H-benzimidazol-2-yl)-3-(3,5-dimethylphenyl)propan-2-yl]-1H-benzimidazole
SMILESCc1cc(C)cc(CC(Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C25H24N4/c1-16-11-17(2)13-18(12-16)14-19(25-28-22-9-5-6-10-23(22)29-25)15-24-26-20-7-3-4-8-21(20)27-24/h3-13,19H,14-15H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyKOUSZODOLMDLOR-UHFFFAOYSA-N
XLogP5.63
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.50
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-benzimidazol-2-yl)-3-(3,5-dimethylphenyl)propan-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-(1H-benzimidazol-2-yl)-3-(3,5-dimethylphenyl)propan-2-yl]-1H-benzimidazole (CID 3094795) is 2-[1-(1H-benzimidazol-2-yl)-3-(3,5-dimethylphenyl)propan-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-(1H-benzimidazol-2-yl)-3-(3,5-dimethylphenyl)propan-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-(1H-benzimidazol-2-yl)-3-(3,5-dimethylphenyl)propan-2-yl]-1H-benzimidazole is Cc1cc(C)cc(CC(Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[1-(1H-benzimidazol-2-yl)-3-(3,5-dimethylphenyl)propan-2-yl]-1H-benzimidazole?
The InChIKey is KOUSZODOLMDLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4/c1-16-11-17(2)13-18(12-16)14-19(25-28-22-9-5-6-10-23(22)29-25)15-24-26-20-7-3-4-8-21(20)27-24/h3-13,19H,14-15H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of 2-[1-(1H-benzimidazol-2-yl)-3-(3,5-dimethylphenyl)propan-2-yl]-1H-benzimidazole?
2-[1-(1H-benzimidazol-2-yl)-3-(3,5-dimethylphenyl)propan-2-yl]-1H-benzimidazole has a molecular weight of 380.50 g/mol, XLogP of 5.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-benzimidazol-2-yl)-3-(3,5-dimethylphenyl)propan-2-yl]-1H-benzimidazole is sourced from PubChem (CID 3094795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).