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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Related Compounds

CID 5309446
CID 5309446
CID 2782
CID 2782
CID 60652
CID 60652
CID 445756
CID 445756
CID 71454
CID 71454
CID 118896198
CID 118896198
CID 130447905
CID 130447905
CID 10522705
CID 10522705
CID 11652744
CID 11652744
CID 68234726
CID 68234726
CID 139392711
CID 139392711
CID 1253120
CID 1253120

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).