N,N-dimethyl-4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]aniline

C23H21N3 — CID 3304357

IUPACN,N-dimethyl-4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]aniline
SMILESCN(C)c1ccc(C=Cc2nc3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C23H21N3/c1-25(2)19-15-12-18(13-16-19)14-17-23-24-21-10-6-7-11-22(21)26(23)20-8-4-3-5-9-20/h3-17H,1-2H3
InChIKeyNDYDHRCQFWIEFY-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.26
Rot. Bonds4

About N,N-dimethyl-4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]aniline

N,N-dimethyl-4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]aniline (PubChem CID 3304357) has the molecular formula C23H21N3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]aniline
PubChem CID3304357
Molecular FormulaC23H21N3
Molecular Weight339.44 g/mol
Exact Mass339.17
IUPAC NameN,N-dimethyl-4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]aniline
SMILESCN(C)c1ccc(C=Cc2nc3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C23H21N3/c1-25(2)19-15-12-18(13-16-19)14-17-23-24-21-10-6-7-11-22(21)26(23)20-8-4-3-5-9-20/h3-17H,1-2H3
InChIKeyNDYDHRCQFWIEFY-UHFFFAOYSA-N
XLogP5.26
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-N-[(E)-2-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]ethenyl]aniline
CID 21357057
N,N-dimethyl-4-[2-(1-propylbenzimidazol-2-yl)ethenyl]aniline
CID 78505875
1-(4-chlorophenyl)-2-[(E)-2-phenylethenyl]benzimidazole
CID 11702687
4-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]aniline
CID 170794695
N-phenyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine
CID 74013981
1-phenyl-2-[(E)-2-pyridin-3-ylethenyl]benzimidazole
CID 67621656
N,N-dimethyl-4-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethenyl]aniline
CID 5135416
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
3-(2-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one
CID 2902132
3-(2,6-dichlorophenyl)-2-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one
CID 11841509
5-bromo-1-phenyl-2-(2-phenylethenyl)benzimidazole
CID 54183836
1-phenyl-2-(2-phenylprop-1-enyl)benzimidazole
CID 67620863

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]aniline (CID 3304357) is N,N-dimethyl-4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]aniline is CN(C)c1ccc(C=Cc2nc3ccccc3n2-c2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]aniline?
The InChIKey is NDYDHRCQFWIEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3/c1-25(2)19-15-12-18(13-16-19)14-17-23-24-21-10-6-7-11-22(21)26(23)20-8-4-3-5-9-20/h3-17H,1-2H3.
What are the key properties of N,N-dimethyl-4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]aniline?
N,N-dimethyl-4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]aniline has a molecular weight of 339.44 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]aniline is sourced from PubChem (CID 3304357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).