2-[2-[(4-tert-butylphenyl)methyl]-3H-benzimidazol-5-yl]phenol

C24H24N2O — CID 118737161

IUPAC2-[2-[(4-tert-butylphenyl)methyl]-3H-benzimidazol-5-yl]phenol
SMILESCC(C)(C)c1ccc(Cc2nc3ccc(-c4ccccc4O)cc3[nH]2)cc1
InChIInChI=1S/C24H24N2O/c1-24(2,3)18-11-8-16(9-12-18)14-23-25-20-13-10-17(15-21(20)26-23)19-6-4-5-7-22(19)27/h4-13,15,27H,14H2,1-3H3,(H,25,26)
InChIKeyIKGKVFUULCDAJL-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.82
Rot. Bonds3

About 2-[2-[(4-tert-butylphenyl)methyl]-3H-benzimidazol-5-yl]phenol

2-[2-[(4-tert-butylphenyl)methyl]-3H-benzimidazol-5-yl]phenol (PubChem CID 118737161) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[2-[(4-tert-butylphenyl)methyl]-3H-benzimidazol-5-yl]phenol.

Molecular Properties

Compound Name2-[2-[(4-tert-butylphenyl)methyl]-3H-benzimidazol-5-yl]phenol
PubChem CID118737161
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name2-[2-[(4-tert-butylphenyl)methyl]-3H-benzimidazol-5-yl]phenol
SMILESCC(C)(C)c1ccc(Cc2nc3ccc(-c4ccccc4O)cc3[nH]2)cc1
InChIInChI=1S/C24H24N2O/c1-24(2,3)18-11-8-16(9-12-18)14-23-25-20-13-10-17(15-21(20)26-23)19-6-4-5-7-22(19)27/h4-13,15,27H,14H2,1-3H3,(H,25,26)
InChIKeyIKGKVFUULCDAJL-UHFFFAOYSA-N
XLogP5.82
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-tert-butylphenyl)methyl]-3H-benzimidazol-5-yl]phenol?
The IUPAC name of 2-[2-[(4-tert-butylphenyl)methyl]-3H-benzimidazol-5-yl]phenol (CID 118737161) is 2-[2-[(4-tert-butylphenyl)methyl]-3H-benzimidazol-5-yl]phenol.
What is the SMILES notation for 2-[2-[(4-tert-butylphenyl)methyl]-3H-benzimidazol-5-yl]phenol?
The canonical SMILES for 2-[2-[(4-tert-butylphenyl)methyl]-3H-benzimidazol-5-yl]phenol is CC(C)(C)c1ccc(Cc2nc3ccc(-c4ccccc4O)cc3[nH]2)cc1.
What is the InChIKey of 2-[2-[(4-tert-butylphenyl)methyl]-3H-benzimidazol-5-yl]phenol?
The InChIKey is IKGKVFUULCDAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-24(2,3)18-11-8-16(9-12-18)14-23-25-20-13-10-17(15-21(20)26-23)19-6-4-5-7-22(19)27/h4-13,15,27H,14H2,1-3H3,(H,25,26).
What are the key properties of 2-[2-[(4-tert-butylphenyl)methyl]-3H-benzimidazol-5-yl]phenol?
2-[2-[(4-tert-butylphenyl)methyl]-3H-benzimidazol-5-yl]phenol has a molecular weight of 356.47 g/mol, XLogP of 5.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-tert-butylphenyl)methyl]-3H-benzimidazol-5-yl]phenol is sourced from PubChem (CID 118737161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).