4,7-bis(4-methylphenyl)-2-phenyl-1H-benzimidazole

C27H22N2 — CID 139040206

IUPAC4,7-bis(4-methylphenyl)-2-phenyl-1H-benzimidazole
SMILESCc1ccc(-c2ccc(-c3ccc(C)cc3)c3[nH]c(-c4ccccc4)nc23)cc1
InChIInChI=1S/C27H22N2/c1-18-8-12-20(13-9-18)23-16-17-24(21-14-10-19(2)11-15-21)26-25(23)28-27(29-26)22-6-4-3-5-7-22/h3-17H,1-2H3,(H,28,29)
InChIKeyUJGFKBYZDVSTQZ-UHFFFAOYSA-N
MW374.49 g/mol
LogP7.18
Rot. Bonds3

About 4,7-bis(4-methylphenyl)-2-phenyl-1H-benzimidazole

4,7-bis(4-methylphenyl)-2-phenyl-1H-benzimidazole (PubChem CID 139040206) has the molecular formula C27H22N2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 4,7-bis(4-methylphenyl)-2-phenyl-1H-benzimidazole.

Molecular Properties

Compound Name4,7-bis(4-methylphenyl)-2-phenyl-1H-benzimidazole
PubChem CID139040206
Molecular FormulaC27H22N2
Molecular Weight374.49 g/mol
Exact Mass374.18
IUPAC Name4,7-bis(4-methylphenyl)-2-phenyl-1H-benzimidazole
SMILESCc1ccc(-c2ccc(-c3ccc(C)cc3)c3[nH]c(-c4ccccc4)nc23)cc1
InChIInChI=1S/C27H22N2/c1-18-8-12-20(13-9-18)23-16-17-24(21-14-10-19(2)11-15-21)26-25(23)28-27(29-26)22-6-4-3-5-7-22/h3-17H,1-2H3,(H,28,29)
InChIKeyUJGFKBYZDVSTQZ-UHFFFAOYSA-N
XLogP7.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,7-bis(4-methylphenyl)-2-phenyl-1H-benzimidazole?
The IUPAC name of 4,7-bis(4-methylphenyl)-2-phenyl-1H-benzimidazole (CID 139040206) is 4,7-bis(4-methylphenyl)-2-phenyl-1H-benzimidazole.
What is the SMILES notation for 4,7-bis(4-methylphenyl)-2-phenyl-1H-benzimidazole?
The canonical SMILES for 4,7-bis(4-methylphenyl)-2-phenyl-1H-benzimidazole is Cc1ccc(-c2ccc(-c3ccc(C)cc3)c3[nH]c(-c4ccccc4)nc23)cc1.
What is the InChIKey of 4,7-bis(4-methylphenyl)-2-phenyl-1H-benzimidazole?
The InChIKey is UJGFKBYZDVSTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2/c1-18-8-12-20(13-9-18)23-16-17-24(21-14-10-19(2)11-15-21)26-25(23)28-27(29-26)22-6-4-3-5-7-22/h3-17H,1-2H3,(H,28,29).
What are the key properties of 4,7-bis(4-methylphenyl)-2-phenyl-1H-benzimidazole?
4,7-bis(4-methylphenyl)-2-phenyl-1H-benzimidazole has a molecular weight of 374.49 g/mol, XLogP of 7.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(4-methylphenyl)-2-phenyl-1H-benzimidazole is sourced from PubChem (CID 139040206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).