1-[1-(1H-benzimidazol-2-yl)-2,2-dimethylpropyl]-2-(3,5-dichlorophenyl)benzimidazole

C25H22Cl2N4 — CID 53382922

IUPAC1-[1-(1H-benzimidazol-2-yl)-2,2-dimethylpropyl]-2-(3,5-dichlorophenyl)benzimidazole
SMILESCC(C)(C)C(c1nc2ccccc2[nH]1)n1c(-c2cc(Cl)cc(Cl)c2)nc2ccccc21
InChIInChI=1S/C25H22Cl2N4/c1-25(2,3)22(23-28-18-8-4-5-9-19(18)29-23)31-21-11-7-6-10-20(21)30-24(31)15-12-16(26)14-17(27)13-15/h4-14,22H,1-3H3,(H,28,29)
InChIKeySZHTZCGOTFUODV-UHFFFAOYSA-N
MW449.39 g/mol
LogP7.52
Rot. Bonds3

About 1-[1-(1H-benzimidazol-2-yl)-2,2-dimethylpropyl]-2-(3,5-dichlorophenyl)benzimidazole

1-[1-(1H-benzimidazol-2-yl)-2,2-dimethylpropyl]-2-(3,5-dichlorophenyl)benzimidazole (PubChem CID 53382922) has the molecular formula C25H22Cl2N4 and a molecular weight of 449.39 g/mol. Its IUPAC name is 1-[1-(1H-benzimidazol-2-yl)-2,2-dimethylpropyl]-2-(3,5-dichlorophenyl)benzimidazole.

Molecular Properties

Compound Name1-[1-(1H-benzimidazol-2-yl)-2,2-dimethylpropyl]-2-(3,5-dichlorophenyl)benzimidazole
PubChem CID53382922
Molecular FormulaC25H22Cl2N4
Molecular Weight449.39 g/mol
Exact Mass448.12
IUPAC Name1-[1-(1H-benzimidazol-2-yl)-2,2-dimethylpropyl]-2-(3,5-dichlorophenyl)benzimidazole
SMILESCC(C)(C)C(c1nc2ccccc2[nH]1)n1c(-c2cc(Cl)cc(Cl)c2)nc2ccccc21
InChIInChI=1S/C25H22Cl2N4/c1-25(2,3)22(23-28-18-8-4-5-9-19(18)29-23)31-21-11-7-6-10-20(21)30-24(31)15-12-16(26)14-17(27)13-15/h4-14,22H,1-3H3,(H,28,29)
InChIKeySZHTZCGOTFUODV-UHFFFAOYSA-N
XLogP7.52
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.39
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-benzimidazol-2-yl)-2,2-dimethylpropyl]-2-(3,5-dichlorophenyl)benzimidazole?
The IUPAC name of 1-[1-(1H-benzimidazol-2-yl)-2,2-dimethylpropyl]-2-(3,5-dichlorophenyl)benzimidazole (CID 53382922) is 1-[1-(1H-benzimidazol-2-yl)-2,2-dimethylpropyl]-2-(3,5-dichlorophenyl)benzimidazole.
What is the SMILES notation for 1-[1-(1H-benzimidazol-2-yl)-2,2-dimethylpropyl]-2-(3,5-dichlorophenyl)benzimidazole?
The canonical SMILES for 1-[1-(1H-benzimidazol-2-yl)-2,2-dimethylpropyl]-2-(3,5-dichlorophenyl)benzimidazole is CC(C)(C)C(c1nc2ccccc2[nH]1)n1c(-c2cc(Cl)cc(Cl)c2)nc2ccccc21.
What is the InChIKey of 1-[1-(1H-benzimidazol-2-yl)-2,2-dimethylpropyl]-2-(3,5-dichlorophenyl)benzimidazole?
The InChIKey is SZHTZCGOTFUODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N4/c1-25(2,3)22(23-28-18-8-4-5-9-19(18)29-23)31-21-11-7-6-10-20(21)30-24(31)15-12-16(26)14-17(27)13-15/h4-14,22H,1-3H3,(H,28,29).
What are the key properties of 1-[1-(1H-benzimidazol-2-yl)-2,2-dimethylpropyl]-2-(3,5-dichlorophenyl)benzimidazole?
1-[1-(1H-benzimidazol-2-yl)-2,2-dimethylpropyl]-2-(3,5-dichlorophenyl)benzimidazole has a molecular weight of 449.39 g/mol, XLogP of 7.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-benzimidazol-2-yl)-2,2-dimethylpropyl]-2-(3,5-dichlorophenyl)benzimidazole is sourced from PubChem (CID 53382922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).