4,5-dibromo-7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole

C20H22Br2N2O2 — CID 11155912

IUPAC4,5-dibromo-7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole
SMILESCOCCn1c(-c2ccc(C(C)C)cc2)nc2c(Br)c(Br)cc(OC)c21
InChIInChI=1S/C20H22Br2N2O2/c1-12(2)13-5-7-14(8-6-13)20-23-18-17(22)15(21)11-16(26-4)19(18)24(20)9-10-25-3/h5-8,11-12H,9-10H2,1-4H3
InChIKeyIYPVMDQHPOVNHW-UHFFFAOYSA-N
MW482.22 g/mol
LogP6.01
Rot. Bonds6

About 4,5-dibromo-7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole

4,5-dibromo-7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole (PubChem CID 11155912) has the molecular formula C20H22Br2N2O2 and a molecular weight of 482.22 g/mol. Its IUPAC name is 4,5-dibromo-7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole.

Molecular Properties

Compound Name4,5-dibromo-7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole
PubChem CID11155912
Molecular FormulaC20H22Br2N2O2
Molecular Weight482.22 g/mol
Exact Mass480.00
IUPAC Name4,5-dibromo-7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole
SMILESCOCCn1c(-c2ccc(C(C)C)cc2)nc2c(Br)c(Br)cc(OC)c21
InChIInChI=1S/C20H22Br2N2O2/c1-12(2)13-5-7-14(8-6-13)20-23-18-17(22)15(21)11-16(26-4)19(18)24(20)9-10-25-3/h5-8,11-12H,9-10H2,1-4H3
InChIKeyIYPVMDQHPOVNHW-UHFFFAOYSA-N
XLogP6.01
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.22
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole?
The IUPAC name of 4,5-dibromo-7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole (CID 11155912) is 4,5-dibromo-7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole.
What is the SMILES notation for 4,5-dibromo-7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole?
The canonical SMILES for 4,5-dibromo-7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole is COCCn1c(-c2ccc(C(C)C)cc2)nc2c(Br)c(Br)cc(OC)c21.
What is the InChIKey of 4,5-dibromo-7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole?
The InChIKey is IYPVMDQHPOVNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Br2N2O2/c1-12(2)13-5-7-14(8-6-13)20-23-18-17(22)15(21)11-16(26-4)19(18)24(20)9-10-25-3/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 4,5-dibromo-7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole?
4,5-dibromo-7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole has a molecular weight of 482.22 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole is sourced from PubChem (CID 11155912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).