4-[2-(4-aminophenyl)benzimidazol-1-yl]phenol

C19H15N3O — CID 132528735

IUPAC4-[2-(4-aminophenyl)benzimidazol-1-yl]phenol
SMILESNc1ccc(-c2nc3ccccc3n2-c2ccc(O)cc2)cc1
InChIInChI=1S/C19H15N3O/c20-14-7-5-13(6-8-14)19-21-17-3-1-2-4-18(17)22(19)15-9-11-16(23)12-10-15/h1-12,23H,20H2
InChIKeyGXAUTHRILUUJGS-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.98
Rot. Bonds2

About 4-[2-(4-aminophenyl)benzimidazol-1-yl]phenol

4-[2-(4-aminophenyl)benzimidazol-1-yl]phenol (PubChem CID 132528735) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-[2-(4-aminophenyl)benzimidazol-1-yl]phenol.

Molecular Properties

Compound Name4-[2-(4-aminophenyl)benzimidazol-1-yl]phenol
PubChem CID132528735
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name4-[2-(4-aminophenyl)benzimidazol-1-yl]phenol
SMILESNc1ccc(-c2nc3ccccc3n2-c2ccc(O)cc2)cc1
InChIInChI=1S/C19H15N3O/c20-14-7-5-13(6-8-14)19-21-17-3-1-2-4-18(17)22(19)15-9-11-16(23)12-10-15/h1-12,23H,20H2
InChIKeyGXAUTHRILUUJGS-UHFFFAOYSA-N
XLogP3.98
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[1-(4-hydroxyphenyl)benzimidazol-2-yl]benzoic acid
CID 57424060
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
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
4-(4-aminophenyl)-3-(1-phenylbenzimidazol-2-yl)aniline
CID 175047355
1-(4-fluorophenyl)-2-(4-methylphenyl)benzimidazole
CID 95930125
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
4-[4-[3-[4-phenyl-6-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]aniline
CID 170034469
[4-(2-phenylbenzimidazol-1-yl)phenyl]phosphane
CID 174737756
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 154031427
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminophenyl)benzimidazol-1-yl]phenol?
The IUPAC name of 4-[2-(4-aminophenyl)benzimidazol-1-yl]phenol (CID 132528735) is 4-[2-(4-aminophenyl)benzimidazol-1-yl]phenol.
What is the SMILES notation for 4-[2-(4-aminophenyl)benzimidazol-1-yl]phenol?
The canonical SMILES for 4-[2-(4-aminophenyl)benzimidazol-1-yl]phenol is Nc1ccc(-c2nc3ccccc3n2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-(4-aminophenyl)benzimidazol-1-yl]phenol?
The InChIKey is GXAUTHRILUUJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c20-14-7-5-13(6-8-14)19-21-17-3-1-2-4-18(17)22(19)15-9-11-16(23)12-10-15/h1-12,23H,20H2.
What are the key properties of 4-[2-(4-aminophenyl)benzimidazol-1-yl]phenol?
4-[2-(4-aminophenyl)benzimidazol-1-yl]phenol has a molecular weight of 301.35 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminophenyl)benzimidazol-1-yl]phenol is sourced from PubChem (CID 132528735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).