1-[4-(3-methylbutan-2-yl)phenyl]-2-phenylbenzimidazole

C24H24N2 — CID 130453259

IUPAC1-[4-(3-methylbutan-2-yl)phenyl]-2-phenylbenzimidazole
SMILESCC(C)C(C)c1ccc(-n2c(-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C24H24N2/c1-17(2)18(3)19-13-15-21(16-14-19)26-23-12-8-7-11-22(23)25-24(26)20-9-5-4-6-10-20/h4-18H,1-3H3
InChIKeyVUAIVFJWAKVDIY-UHFFFAOYSA-N
MW340.47 g/mol
LogP6.45
Rot. Bonds4

About 1-[4-(3-methylbutan-2-yl)phenyl]-2-phenylbenzimidazole

1-[4-(3-methylbutan-2-yl)phenyl]-2-phenylbenzimidazole (PubChem CID 130453259) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[4-(3-methylbutan-2-yl)phenyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[4-(3-methylbutan-2-yl)phenyl]-2-phenylbenzimidazole
PubChem CID130453259
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC Name1-[4-(3-methylbutan-2-yl)phenyl]-2-phenylbenzimidazole
SMILESCC(C)C(C)c1ccc(-n2c(-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C24H24N2/c1-17(2)18(3)19-13-15-21(16-14-19)26-23-12-8-7-11-22(23)25-24(26)20-9-5-4-6-10-20/h4-18H,1-3H3
InChIKeyVUAIVFJWAKVDIY-UHFFFAOYSA-N
XLogP6.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
[4-(2-phenylbenzimidazol-1-yl)phenyl]phosphane
CID 174737756
1,2-diphenylbenzimidazole;ethane;iridium;propane
CID 142394497
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-propan-2-ylphenyl)benzimidazol-1-yl]phenyl]-2-(4-propan-2-ylphenyl)benzimidazole
CID 155173829
1-[4-(9,10-diphenyl-6-propan-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953696
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 154031427
1-naphthalen-2-yl-2-phenylbenzimidazole
CID 134454984
2-phenyl-1-[4-[7-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyren-2-yl]phenyl]benzimidazole
CID 90362628
1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole
CID 58489449
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylbutan-2-yl)phenyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[4-(3-methylbutan-2-yl)phenyl]-2-phenylbenzimidazole (CID 130453259) is 1-[4-(3-methylbutan-2-yl)phenyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[4-(3-methylbutan-2-yl)phenyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[4-(3-methylbutan-2-yl)phenyl]-2-phenylbenzimidazole is CC(C)C(C)c1ccc(-n2c(-c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 1-[4-(3-methylbutan-2-yl)phenyl]-2-phenylbenzimidazole?
The InChIKey is VUAIVFJWAKVDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2/c1-17(2)18(3)19-13-15-21(16-14-19)26-23-12-8-7-11-22(23)25-24(26)20-9-5-4-6-10-20/h4-18H,1-3H3.
What are the key properties of 1-[4-(3-methylbutan-2-yl)phenyl]-2-phenylbenzimidazole?
1-[4-(3-methylbutan-2-yl)phenyl]-2-phenylbenzimidazole has a molecular weight of 340.47 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylbutan-2-yl)phenyl]-2-phenylbenzimidazole is sourced from PubChem (CID 130453259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).