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

C20H23N3 — CID 78505875

IUPACN,N-dimethyl-4-[2-(1-propylbenzimidazol-2-yl)ethenyl]aniline
SMILESCCCn1c(C=Cc2ccc(N(C)C)cc2)nc2ccccc21
InChIInChI=1S/C20H23N3/c1-4-15-23-19-8-6-5-7-18(19)21-20(23)14-11-16-9-12-17(13-10-16)22(2)3/h5-14H,4,15H2,1-3H3
InChIKeyVEZIJGVVMPRCDZ-UHFFFAOYSA-N
MW305.43 g/mol
LogP4.68
Rot. Bonds5

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

N,N-dimethyl-4-[2-(1-propylbenzimidazol-2-yl)ethenyl]aniline (PubChem CID 78505875) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(1-propylbenzimidazol-2-yl)ethenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(1-propylbenzimidazol-2-yl)ethenyl]aniline
PubChem CID78505875
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC NameN,N-dimethyl-4-[2-(1-propylbenzimidazol-2-yl)ethenyl]aniline
SMILESCCCn1c(C=Cc2ccc(N(C)C)cc2)nc2ccccc21
InChIInChI=1S/C20H23N3/c1-4-15-23-19-8-6-5-7-18(19)21-20(23)14-11-16-9-12-17(13-10-16)22(2)3/h5-14H,4,15H2,1-3H3
InChIKeyVEZIJGVVMPRCDZ-UHFFFAOYSA-N
XLogP4.68
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.68
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,N-dimethyl-4-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethenyl]aniline
CID 5135416
1-butyl-2-(2-phenylethenyl)benzimidazole
CID 2896888
N,N-dimethyl-4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]aniline
CID 3304357
1-pentyl-2-(2-phenylethenyl)benzimidazole
CID 3761593
1-octadecyl-2-(2-phenylethenyl)benzimidazole
CID 4153645
2-[2-(4-methoxyphenyl)ethenyl]-1-nonylbenzimidazole
CID 5088588
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-undecylbenzimidazole
CID 6266974
1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate
CID 139069013
1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 2919944
1-[2-(4-methoxyphenoxy)ethyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999685
2-[(E)-2-phenylethenyl]-1-propylbenzimidazole-5-carboxamide
CID 11833693
1-ethyl-2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]benzimidazole
CID 6489920

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(1-propylbenzimidazol-2-yl)ethenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[2-(1-propylbenzimidazol-2-yl)ethenyl]aniline (CID 78505875) is N,N-dimethyl-4-[2-(1-propylbenzimidazol-2-yl)ethenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[2-(1-propylbenzimidazol-2-yl)ethenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[2-(1-propylbenzimidazol-2-yl)ethenyl]aniline is CCCn1c(C=Cc2ccc(N(C)C)cc2)nc2ccccc21.
What is the InChIKey of N,N-dimethyl-4-[2-(1-propylbenzimidazol-2-yl)ethenyl]aniline?
The InChIKey is VEZIJGVVMPRCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-4-15-23-19-8-6-5-7-18(19)21-20(23)14-11-16-9-12-17(13-10-16)22(2)3/h5-14H,4,15H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[2-(1-propylbenzimidazol-2-yl)ethenyl]aniline?
N,N-dimethyl-4-[2-(1-propylbenzimidazol-2-yl)ethenyl]aniline has a molecular weight of 305.43 g/mol, XLogP of 4.68, 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-propylbenzimidazol-2-yl)ethenyl]aniline is sourced from PubChem (CID 78505875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).