6-ethenyl-2-[(Z)-prop-1-enyl]-1H-benzimidazole

C12H12N2 — CID 67635734

IUPAC6-ethenyl-2-[(Z)-prop-1-enyl]-1H-benzimidazole
SMILESC=Cc1ccc2nc(/C=C\C)[nH]c2c1
InChIInChI=1S/C12H12N2/c1-3-5-12-13-10-7-6-9(4-2)8-11(10)14-12/h3-8H,2H2,1H3,(H,13,14)/b5-3-
InChIKeyFSJNBYICAQFYIU-HYXAFXHYSA-N
MW184.24 g/mol
LogP3.24
Rot. Bonds2

About 6-ethenyl-2-[(Z)-prop-1-enyl]-1H-benzimidazole

6-ethenyl-2-[(Z)-prop-1-enyl]-1H-benzimidazole (PubChem CID 67635734) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 6-ethenyl-2-[(Z)-prop-1-enyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-ethenyl-2-[(Z)-prop-1-enyl]-1H-benzimidazole
PubChem CID67635734
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name6-ethenyl-2-[(Z)-prop-1-enyl]-1H-benzimidazole
SMILESC=Cc1ccc2nc(/C=C\C)[nH]c2c1
InChIInChI=1S/C12H12N2/c1-3-5-12-13-10-7-6-9(4-2)8-11(10)14-12/h3-8H,2H2,1H3,(H,13,14)/b5-3-
InChIKeyFSJNBYICAQFYIU-HYXAFXHYSA-N
XLogP3.24
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Aminobenzimidazole
CID 13624
Parbendazole
CID 26596
Bendazol
CID 12132
5,6-Dimethylbenzimidazole
CID 675
2-Methylbenzimidazole
CID 11984
2-Phenylbenzimidazole
CID 12855
2-(Methylthio)benzimidazole
CID 23539
5-Methylbenzimidazole
CID 11979
Benzimidazole, 2-butyl-
CID 22122
2-(Trifluoromethyl)-1H-benzimidazole
CID 67560
2-Ethylbenzimidazole
CID 15807
1-(1H-Benzimidazol-2-yl)ethanone
CID 70322

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-2-[(Z)-prop-1-enyl]-1H-benzimidazole?
The IUPAC name of 6-ethenyl-2-[(Z)-prop-1-enyl]-1H-benzimidazole (CID 67635734) is 6-ethenyl-2-[(Z)-prop-1-enyl]-1H-benzimidazole.
What is the SMILES notation for 6-ethenyl-2-[(Z)-prop-1-enyl]-1H-benzimidazole?
The canonical SMILES for 6-ethenyl-2-[(Z)-prop-1-enyl]-1H-benzimidazole is C=Cc1ccc2nc(/C=C\C)[nH]c2c1.
What is the InChIKey of 6-ethenyl-2-[(Z)-prop-1-enyl]-1H-benzimidazole?
The InChIKey is FSJNBYICAQFYIU-HYXAFXHYSA-N. The full InChI is InChI=1S/C12H12N2/c1-3-5-12-13-10-7-6-9(4-2)8-11(10)14-12/h3-8H,2H2,1H3,(H,13,14)/b5-3-.
What are the key properties of 6-ethenyl-2-[(Z)-prop-1-enyl]-1H-benzimidazole?
6-ethenyl-2-[(Z)-prop-1-enyl]-1H-benzimidazole has a molecular weight of 184.24 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2-[(Z)-prop-1-enyl]-1H-benzimidazole is sourced from PubChem (CID 67635734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).