4-[1-(2-methylphenyl)benzimidazol-2-yl]-N,N-diphenylaniline

C32H25N3 — CID 21356945

IUPAC4-[1-(2-methylphenyl)benzimidazol-2-yl]-N,N-diphenylaniline
SMILESCc1ccccc1-n1c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C32H25N3/c1-24-12-8-10-18-30(24)35-31-19-11-9-17-29(31)33-32(35)25-20-22-28(23-21-25)34(26-13-4-2-5-14-26)27-15-6-3-7-16-27/h2-23H,1H3
InChIKeyUDZDNAFWHTXYIB-UHFFFAOYSA-N
MW451.57 g/mol
LogP8.47
Rot. Bonds5

About 4-[1-(2-methylphenyl)benzimidazol-2-yl]-N,N-diphenylaniline

4-[1-(2-methylphenyl)benzimidazol-2-yl]-N,N-diphenylaniline (PubChem CID 21356945) has the molecular formula C32H25N3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 4-[1-(2-methylphenyl)benzimidazol-2-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[1-(2-methylphenyl)benzimidazol-2-yl]-N,N-diphenylaniline
PubChem CID21356945
Molecular FormulaC32H25N3
Molecular Weight451.57 g/mol
Exact Mass451.20
IUPAC Name4-[1-(2-methylphenyl)benzimidazol-2-yl]-N,N-diphenylaniline
SMILESCc1ccccc1-n1c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C32H25N3/c1-24-12-8-10-18-30(24)35-31-19-11-9-17-29(31)33-32(35)25-20-22-28(23-21-25)34(26-13-4-2-5-14-26)27-15-6-3-7-16-27/h2-23H,1H3
InChIKeyUDZDNAFWHTXYIB-UHFFFAOYSA-N
XLogP8.47
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-2-phenylbenzimidazole
CID 59359524
2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole
CID 23399455
4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 154031427
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-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]-N,4-diphenylaniline
CID 71143072
N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500875
1-(2-methylphenyl)-2-[10-(4-methylphenyl)anthracen-9-yl]benzimidazole
CID 89265079
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
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
4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]phenyl]aniline
CID 89467463
N,N-diphenyl-4-[10-[4-(N-phenylanilino)phenyl]-3-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]aniline
CID 58963329
N,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline
CID 146339319

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methylphenyl)benzimidazol-2-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[1-(2-methylphenyl)benzimidazol-2-yl]-N,N-diphenylaniline (CID 21356945) is 4-[1-(2-methylphenyl)benzimidazol-2-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[1-(2-methylphenyl)benzimidazol-2-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[1-(2-methylphenyl)benzimidazol-2-yl]-N,N-diphenylaniline is Cc1ccccc1-n1c(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc2ccccc21.
What is the InChIKey of 4-[1-(2-methylphenyl)benzimidazol-2-yl]-N,N-diphenylaniline?
The InChIKey is UDZDNAFWHTXYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N3/c1-24-12-8-10-18-30(24)35-31-19-11-9-17-29(31)33-32(35)25-20-22-28(23-21-25)34(26-13-4-2-5-14-26)27-15-6-3-7-16-27/h2-23H,1H3.
What are the key properties of 4-[1-(2-methylphenyl)benzimidazol-2-yl]-N,N-diphenylaniline?
4-[1-(2-methylphenyl)benzimidazol-2-yl]-N,N-diphenylaniline has a molecular weight of 451.57 g/mol, XLogP of 8.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methylphenyl)benzimidazol-2-yl]-N,N-diphenylaniline is sourced from PubChem (CID 21356945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).