4-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]aniline

C21H17N3 — CID 170794695

IUPAC4-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]aniline
SMILESNc1ccc(-n2c(/C=C/c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C21H17N3/c22-17-11-13-18(14-12-17)24-20-9-5-4-8-19(20)23-21(24)15-10-16-6-2-1-3-7-16/h1-15H,22H2/b15-10+
InChIKeyGVTUPWWRYURWQF-XNTDXEJSSA-N
MW311.39 g/mol
LogP4.78
Rot. Bonds3

About 4-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]aniline

4-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]aniline (PubChem CID 170794695) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]aniline.

Molecular Properties

Compound Name4-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]aniline
PubChem CID170794695
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC Name4-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]aniline
SMILESNc1ccc(-n2c(/C=C/c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C21H17N3/c22-17-11-13-18(14-12-17)24-20-9-5-4-8-19(20)23-21(24)15-10-16-6-2-1-3-7-16/h1-15H,22H2/b15-10+
InChIKeyGVTUPWWRYURWQF-XNTDXEJSSA-N
XLogP4.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-2-[(E)-2-phenylethenyl]benzimidazole
CID 11702687
N,N-dimethyl-4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]aniline
CID 3304357
1-phenyl-2-[(E)-2-pyridin-3-ylethenyl]benzimidazole
CID 67621656
N-phenyl-N-[(E)-2-[4-[(E)-2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]ethenyl]aniline
CID 21357057
5-bromo-1-phenyl-2-(2-phenylethenyl)benzimidazole
CID 54183836
1-(6-methyl-2-pyridinyl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride
CID 22736649
N-phenyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]phenyl]phenanthren-9-amine
CID 74013981
4-(2-phenylethenyl)aniline
CID 13265
1-(6-chloropyrimidin-4-yl)-2-[(E)-2-phenylethenyl]benzimidazole;hydrochloride
CID 22736683
2-(2-phenylethenyl)-1-propan-2-ylbenzimidazole
CID 3787775
4-[2-(4-aminophenyl)benzimidazol-1-yl]phenol
CID 132528735
2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetonitrile
CID 82144934

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]aniline?
The IUPAC name of 4-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]aniline (CID 170794695) is 4-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]aniline.
What is the SMILES notation for 4-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]aniline?
The canonical SMILES for 4-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]aniline is Nc1ccc(-n2c(/C=C/c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 4-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]aniline?
The InChIKey is GVTUPWWRYURWQF-XNTDXEJSSA-N. The full InChI is InChI=1S/C21H17N3/c22-17-11-13-18(14-12-17)24-20-9-5-4-8-19(20)23-21(24)15-10-16-6-2-1-3-7-16/h1-15H,22H2/b15-10+.
What are the key properties of 4-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]aniline?
4-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]aniline has a molecular weight of 311.39 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]aniline is sourced from PubChem (CID 170794695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).