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'}

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Related Compounds

N-[1-(4-cyclopenta-1,3-dien-1-ylphenyl)ethenyl]-3-methylaniline
CID 143032212
(E)-3-(4-aminophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 84551872
(5aR)-5-methyl-N-(3-methylphenyl)-12-oxo-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
CID 99749186
4-N-(3-methylphenyl)benzene-1,4-diamine
CID 4764078
N-(1-chloroethenyl)-3-methylaniline
CID 71411235
N-[1-(3-methylphenyl)ethenyl]hydroxylamine
CID 142051233
[1-(3-methylanilino)-1-oxobutan-2-yl] 4-aminobenzoate
CID 23803282
1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-(3-methylphenyl)urea
CID 79524209
1-(3-methylphenyl)ethenylhydrazine
CID 129060271
5-amino-N'-ethenyl-2-methyl-N-(3-methylphenyl)benzenecarboximidamide
CID 142164673
4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 62083149
1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea
CID 54944882

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).