N-[1-[2-(4-aminophenyl)-3-methyl-1,2-dihydrobenzimidazol-5-yl]ethenyl]-3-methylaniline

C23H24N4 — CID 174166187

IUPACN-[1-[2-(4-aminophenyl)-3-methyl-1,2-dihydrobenzimidazol-5-yl]ethenyl]-3-methylaniline
SMILESC=C(Nc1cccc(C)c1)c1ccc2c(c1)N(C)C(c1ccc(N)cc1)N2
InChIInChI=1S/C23H24N4/c1-15-5-4-6-20(13-15)25-16(2)18-9-12-21-22(14-18)27(3)23(26-21)17-7-10-19(24)11-8-17/h4-14,23,25-26H,2,24H2,1,3H3
InChIKeyOJNKDKLODBQDSR-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.22
Rot. Bonds4

About N-[1-[2-(4-aminophenyl)-3-methyl-1,2-dihydrobenzimidazol-5-yl]ethenyl]-3-methylaniline

N-[1-[2-(4-aminophenyl)-3-methyl-1,2-dihydrobenzimidazol-5-yl]ethenyl]-3-methylaniline (PubChem CID 174166187) has the molecular formula C23H24N4 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[1-[2-(4-aminophenyl)-3-methyl-1,2-dihydrobenzimidazol-5-yl]ethenyl]-3-methylaniline.

Molecular Properties

Compound NameN-[1-[2-(4-aminophenyl)-3-methyl-1,2-dihydrobenzimidazol-5-yl]ethenyl]-3-methylaniline
PubChem CID174166187
Molecular FormulaC23H24N4
Molecular Weight356.47 g/mol
Exact Mass356.20
IUPAC NameN-[1-[2-(4-aminophenyl)-3-methyl-1,2-dihydrobenzimidazol-5-yl]ethenyl]-3-methylaniline
SMILESC=C(Nc1cccc(C)c1)c1ccc2c(c1)N(C)C(c1ccc(N)cc1)N2
InChIInChI=1S/C23H24N4/c1-15-5-4-6-20(13-15)25-16(2)18-9-12-21-22(14-18)27(3)23(26-21)17-7-10-19(24)11-8-17/h4-14,23,25-26H,2,24H2,1,3H3
InChIKeyOJNKDKLODBQDSR-UHFFFAOYSA-N
XLogP5.22
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-[2-(4-aminophenyl)-3-methyl-1,2-dihydrobenzimidazol-5-yl]ethenyl]-3-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-aminophenyl)-3-methyl-1,2-dihydrobenzimidazol-5-yl]ethenyl]-3-methylaniline?
The IUPAC name of N-[1-[2-(4-aminophenyl)-3-methyl-1,2-dihydrobenzimidazol-5-yl]ethenyl]-3-methylaniline (CID 174166187) is N-[1-[2-(4-aminophenyl)-3-methyl-1,2-dihydrobenzimidazol-5-yl]ethenyl]-3-methylaniline.
What is the SMILES notation for N-[1-[2-(4-aminophenyl)-3-methyl-1,2-dihydrobenzimidazol-5-yl]ethenyl]-3-methylaniline?
The canonical SMILES for N-[1-[2-(4-aminophenyl)-3-methyl-1,2-dihydrobenzimidazol-5-yl]ethenyl]-3-methylaniline is C=C(Nc1cccc(C)c1)c1ccc2c(c1)N(C)C(c1ccc(N)cc1)N2.
What is the InChIKey of N-[1-[2-(4-aminophenyl)-3-methyl-1,2-dihydrobenzimidazol-5-yl]ethenyl]-3-methylaniline?
The InChIKey is OJNKDKLODBQDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4/c1-15-5-4-6-20(13-15)25-16(2)18-9-12-21-22(14-18)27(3)23(26-21)17-7-10-19(24)11-8-17/h4-14,23,25-26H,2,24H2,1,3H3.
What are the key properties of N-[1-[2-(4-aminophenyl)-3-methyl-1,2-dihydrobenzimidazol-5-yl]ethenyl]-3-methylaniline?
N-[1-[2-(4-aminophenyl)-3-methyl-1,2-dihydrobenzimidazol-5-yl]ethenyl]-3-methylaniline has a molecular weight of 356.47 g/mol, XLogP of 5.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-aminophenyl)-3-methyl-1,2-dihydrobenzimidazol-5-yl]ethenyl]-3-methylaniline is sourced from PubChem (CID 174166187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).