1-[2-(4-chlorophenyl)propan-2-yl]-2-(2-chloropropan-2-yl)benzimidazole

C19H20Cl2N2 — CID 66596777

IUPAC1-[2-(4-chlorophenyl)propan-2-yl]-2-(2-chloropropan-2-yl)benzimidazole
SMILESCC(C)(Cl)c1nc2ccccc2n1C(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C19H20Cl2N2/c1-18(2,21)17-22-15-7-5-6-8-16(15)23(17)19(3,4)13-9-11-14(20)12-10-13/h5-12H,1-4H3
InChIKeyGQAAVVKULAZXQT-UHFFFAOYSA-N
MW347.29 g/mol
LogP5.95
Rot. Bonds3

About 1-[2-(4-chlorophenyl)propan-2-yl]-2-(2-chloropropan-2-yl)benzimidazole

1-[2-(4-chlorophenyl)propan-2-yl]-2-(2-chloropropan-2-yl)benzimidazole (PubChem CID 66596777) has the molecular formula C19H20Cl2N2 and a molecular weight of 347.29 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)propan-2-yl]-2-(2-chloropropan-2-yl)benzimidazole.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)propan-2-yl]-2-(2-chloropropan-2-yl)benzimidazole
PubChem CID66596777
Molecular FormulaC19H20Cl2N2
Molecular Weight347.29 g/mol
Exact Mass346.10
IUPAC Name1-[2-(4-chlorophenyl)propan-2-yl]-2-(2-chloropropan-2-yl)benzimidazole
SMILESCC(C)(Cl)c1nc2ccccc2n1C(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C19H20Cl2N2/c1-18(2,21)17-22-15-7-5-6-8-16(15)23(17)19(3,4)13-9-11-14(20)12-10-13/h5-12H,1-4H3
InChIKeyGQAAVVKULAZXQT-UHFFFAOYSA-N
XLogP5.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.29
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)propan-2-yl]-2-(2-chloropropan-2-yl)benzimidazole?
The IUPAC name of 1-[2-(4-chlorophenyl)propan-2-yl]-2-(2-chloropropan-2-yl)benzimidazole (CID 66596777) is 1-[2-(4-chlorophenyl)propan-2-yl]-2-(2-chloropropan-2-yl)benzimidazole.
What is the SMILES notation for 1-[2-(4-chlorophenyl)propan-2-yl]-2-(2-chloropropan-2-yl)benzimidazole?
The canonical SMILES for 1-[2-(4-chlorophenyl)propan-2-yl]-2-(2-chloropropan-2-yl)benzimidazole is CC(C)(Cl)c1nc2ccccc2n1C(C)(C)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)propan-2-yl]-2-(2-chloropropan-2-yl)benzimidazole?
The InChIKey is GQAAVVKULAZXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2/c1-18(2,21)17-22-15-7-5-6-8-16(15)23(17)19(3,4)13-9-11-14(20)12-10-13/h5-12H,1-4H3.
What are the key properties of 1-[2-(4-chlorophenyl)propan-2-yl]-2-(2-chloropropan-2-yl)benzimidazole?
1-[2-(4-chlorophenyl)propan-2-yl]-2-(2-chloropropan-2-yl)benzimidazole has a molecular weight of 347.29 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)propan-2-yl]-2-(2-chloropropan-2-yl)benzimidazole is sourced from PubChem (CID 66596777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).