N,N-dimethyl-4-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethenyl]aniline

C21H23N3 — CID 5135416

IUPACN,N-dimethyl-4-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethenyl]aniline
SMILESC=C(C)Cn1c(C=Cc2ccc(N(C)C)cc2)nc2ccccc21
InChIInChI=1S/C21H23N3/c1-16(2)15-24-20-8-6-5-7-19(20)22-21(24)14-11-17-9-12-18(13-10-17)23(3)4/h5-14H,1,15H2,2-4H3
InChIKeyIHQTUDDYLOKZOA-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.85
Rot. Bonds5

About N,N-dimethyl-4-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethenyl]aniline

N,N-dimethyl-4-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethenyl]aniline (PubChem CID 5135416) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethenyl]aniline
PubChem CID5135416
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC NameN,N-dimethyl-4-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethenyl]aniline
SMILESC=C(C)Cn1c(C=Cc2ccc(N(C)C)cc2)nc2ccccc21
InChIInChI=1S/C21H23N3/c1-16(2)15-24-20-8-6-5-7-19(20)22-21(24)14-11-17-9-12-18(13-10-17)23(3)4/h5-14H,1,15H2,2-4H3
InChIKeyIHQTUDDYLOKZOA-UHFFFAOYSA-N
XLogP4.85
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-[2-(1-propylbenzimidazol-2-yl)ethenyl]aniline
CID 78505875
N,N-dimethyl-4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]aniline
CID 3304357
2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone
CID 16999755
2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole
CID 3719210
1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate
CID 139069013
1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 2919944
2-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-methylpropyl)benzimidazole
CID 157188103
1-[2-(4-methoxyphenoxy)ethyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999685
1-butyl-2-(2-phenylethenyl)benzimidazole
CID 2896888
2-(2-methylphenyl)-1-(2-methylprop-2-enyl)benzimidazole
CID 17000597
2-[2-[(E)-2-(4-fluorophenyl)ethenyl]benzimidazol-1-yl]-N-[(2R)-1-methoxypropan-2-yl]-N-phenylacetamide
CID 40837749
2-[2-[(E)-2-(4-methylphenyl)ethenyl]benzimidazol-1-yl]acetonitrile
CID 82144945

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethenyl]aniline (CID 5135416) is N,N-dimethyl-4-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethenyl]aniline is C=C(C)Cn1c(C=Cc2ccc(N(C)C)cc2)nc2ccccc21.
What is the InChIKey of N,N-dimethyl-4-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethenyl]aniline?
The InChIKey is IHQTUDDYLOKZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-16(2)15-24-20-8-6-5-7-19(20)22-21(24)14-11-17-9-12-18(13-10-17)23(3)4/h5-14H,1,15H2,2-4H3.
What are the key properties of N,N-dimethyl-4-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethenyl]aniline?
N,N-dimethyl-4-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethenyl]aniline has a molecular weight of 317.44 g/mol, XLogP of 4.85, 5 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-(2-methylprop-2-enyl)benzimidazol-2-yl]ethenyl]aniline is sourced from PubChem (CID 5135416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).