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

N-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]-N,4-diphenylaniline
CID 71143072
N,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline
CID 146339319
N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500875
4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 154031427
N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 122425024
9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]fluorene-2,7-diamine
CID 155473648
4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-N-(4-methylphenyl)aniline
CID 163796534
N-phenyl-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-2-amine
CID 90198233
9-(4-naphthalen-2-ylphenyl)-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500896
N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]aniline
CID 121337566
3-N,3-N,10-N,10-N-tetraphenyl-15-[4-(1-phenylbenzimidazol-2-yl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine
CID 90125585
N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-9,18-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenyl]aniline
CID 58738516

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).