4-(4-methoxy-N-[3-(2-phenylbenzimidazol-1-yl)phenyl]anilino)phenol

C32H25N3O2 — CID 146339363

IUPAC4-(4-methoxy-N-[3-(2-phenylbenzimidazol-1-yl)phenyl]anilino)phenol
SMILESCOc1ccc(N(c2ccc(O)cc2)c2cccc(-n3c(-c4ccccc4)nc4ccccc43)c2)cc1
InChIInChI=1S/C32H25N3O2/c1-37-29-20-16-25(17-21-29)34(24-14-18-28(36)19-15-24)26-10-7-11-27(22-26)35-31-13-6-5-12-30(31)33-32(35)23-8-3-2-4-9-23/h2-22,36H,1H3
InChIKeyWLLFFIIVQWSPML-UHFFFAOYSA-N
MW483.57 g/mol
LogP7.88
Rot. Bonds6

About 4-(4-methoxy-N-[3-(2-phenylbenzimidazol-1-yl)phenyl]anilino)phenol

4-(4-methoxy-N-[3-(2-phenylbenzimidazol-1-yl)phenyl]anilino)phenol (PubChem CID 146339363) has the molecular formula C32H25N3O2 and a molecular weight of 483.57 g/mol. Its IUPAC name is 4-(4-methoxy-N-[3-(2-phenylbenzimidazol-1-yl)phenyl]anilino)phenol.

Molecular Properties

Compound Name4-(4-methoxy-N-[3-(2-phenylbenzimidazol-1-yl)phenyl]anilino)phenol
PubChem CID146339363
Molecular FormulaC32H25N3O2
Molecular Weight483.57 g/mol
Exact Mass483.19
IUPAC Name4-(4-methoxy-N-[3-(2-phenylbenzimidazol-1-yl)phenyl]anilino)phenol
SMILESCOc1ccc(N(c2ccc(O)cc2)c2cccc(-n3c(-c4ccccc4)nc4ccccc43)c2)cc1
InChIInChI=1S/C32H25N3O2/c1-37-29-20-16-25(17-21-29)34(24-14-18-28(36)19-15-24)26-10-7-11-27(22-26)35-31-13-6-5-12-30(31)33-32(35)23-8-3-2-4-9-23/h2-22,36H,1H3
InChIKeyWLLFFIIVQWSPML-UHFFFAOYSA-N
XLogP7.88
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 57.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Metodesnitazene
CID 26412
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
4-(2-phenyl-1H-benzo[d]imidazol-1-yl)phenol
CID 44405888
1-(4-methoxyphenyl)-N-(4-methylbenzyl)-1H-benzimidazol-5-amine
CID 4341432
1-Ethyl-2-(4-methoxy-benzyl)-1H-benzoimidazole
CID 962281
1-((2-Methoxyphenyl)methyl)-2-methyl-1H-benzimidazole
CID 940002
2-[[[1-(4-Methoxyphenyl)benzimidazol-5-yl]amino]methyl]phenol
CID 672701
1-(4-methoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
CID 66794200
2-[(4-Methoxyphenyl)methyl]-1-methylbenzimidazole;hydrochloride
CID 16188195
2-(4-Methoxyphenyl)-1-(2-methylprop-2-enyl)benzimidazole
CID 661309
2-(4-methoxyphenyl)-1-propyl-1H-1,3-benzodiazole
CID 748266
1-allyl-2-(4-methoxyphenyl)-1H-benzimidazole
CID 748269

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-N-[3-(2-phenylbenzimidazol-1-yl)phenyl]anilino)phenol?
The IUPAC name of 4-(4-methoxy-N-[3-(2-phenylbenzimidazol-1-yl)phenyl]anilino)phenol (CID 146339363) is 4-(4-methoxy-N-[3-(2-phenylbenzimidazol-1-yl)phenyl]anilino)phenol.
What is the SMILES notation for 4-(4-methoxy-N-[3-(2-phenylbenzimidazol-1-yl)phenyl]anilino)phenol?
The canonical SMILES for 4-(4-methoxy-N-[3-(2-phenylbenzimidazol-1-yl)phenyl]anilino)phenol is COc1ccc(N(c2ccc(O)cc2)c2cccc(-n3c(-c4ccccc4)nc4ccccc43)c2)cc1.
What is the InChIKey of 4-(4-methoxy-N-[3-(2-phenylbenzimidazol-1-yl)phenyl]anilino)phenol?
The InChIKey is WLLFFIIVQWSPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N3O2/c1-37-29-20-16-25(17-21-29)34(24-14-18-28(36)19-15-24)26-10-7-11-27(22-26)35-31-13-6-5-12-30(31)33-32(35)23-8-3-2-4-9-23/h2-22,36H,1H3.
What are the key properties of 4-(4-methoxy-N-[3-(2-phenylbenzimidazol-1-yl)phenyl]anilino)phenol?
4-(4-methoxy-N-[3-(2-phenylbenzimidazol-1-yl)phenyl]anilino)phenol has a molecular weight of 483.57 g/mol, XLogP of 7.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-N-[3-(2-phenylbenzimidazol-1-yl)phenyl]anilino)phenol is sourced from PubChem (CID 146339363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).