4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1H-benzimidazole

C20H15ClN2O — CID 67701746

IUPAC4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1H-benzimidazole
SMILESCOc1ccc(-c2nc3c(-c4ccc(Cl)cc4)cccc3[nH]2)cc1
InChIInChI=1S/C20H15ClN2O/c1-24-16-11-7-14(8-12-16)20-22-18-4-2-3-17(19(18)23-20)13-5-9-15(21)10-6-13/h2-12H,1H3,(H,22,23)
InChIKeyVPGADPDZWOTQPZ-UHFFFAOYSA-N
MW334.81 g/mol
LogP5.56
Rot. Bonds3

About 4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1H-benzimidazole

4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1H-benzimidazole (PubChem CID 67701746) has the molecular formula C20H15ClN2O and a molecular weight of 334.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1H-benzimidazole
PubChem CID67701746
Molecular FormulaC20H15ClN2O
Molecular Weight334.81 g/mol
Exact Mass334.09
IUPAC Name4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1H-benzimidazole
SMILESCOc1ccc(-c2nc3c(-c4ccc(Cl)cc4)cccc3[nH]2)cc1
InChIInChI=1S/C20H15ClN2O/c1-24-16-11-7-14(8-12-16)20-22-18-4-2-3-17(19(18)23-20)13-5-9-15(21)10-6-13/h2-12H,1H3,(H,22,23)
InChIKeyVPGADPDZWOTQPZ-UHFFFAOYSA-N
XLogP5.56
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.81
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1H-benzimidazole?
The IUPAC name of 4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1H-benzimidazole (CID 67701746) is 4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1H-benzimidazole is COc1ccc(-c2nc3c(-c4ccc(Cl)cc4)cccc3[nH]2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1H-benzimidazole?
The InChIKey is VPGADPDZWOTQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O/c1-24-16-11-7-14(8-12-16)20-22-18-4-2-3-17(19(18)23-20)13-5-9-15(21)10-6-13/h2-12H,1H3,(H,22,23).
What are the key properties of 4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1H-benzimidazole?
4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1H-benzimidazole has a molecular weight of 334.81 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 67701746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).