2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride

C11H12Cl3N2V-3 — CID 173061092

IUPAC2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride
SMILESC=CCn1c(C)nc2ccccc21.[Cl-].[Cl-].[Cl-].[V]
InChIInChI=1S/C11H12N2.3ClH.V/c1-3-8-13-9(2)12-10-6-4-5-7-11(10)13;;;;/h3-7H,1,8H2,2H3;3*1H;/p-3
InChIKeyPPKFNIBFKSVNQP-UHFFFAOYSA-K
MW329.53 g/mol
LogP-6.46
Rot. Bonds2

About 2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride

2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride (PubChem CID 173061092) has the molecular formula C11H12Cl3N2V-3 and a molecular weight of 329.53 g/mol. Its IUPAC name is 2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride.

Molecular Properties

Compound Name2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride
PubChem CID173061092
Molecular FormulaC11H12Cl3N2V-3
Molecular Weight329.53 g/mol
Exact Mass327.95
IUPAC Name2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride
SMILESC=CCn1c(C)nc2ccccc21.[Cl-].[Cl-].[Cl-].[V]
InChIInChI=1S/C11H12N2.3ClH.V/c1-3-8-13-9(2)12-10-6-4-5-7-11(10)13;;;;/h3-7H,1,8H2,2H3;3*1H;/p-3
InChIKeyPPKFNIBFKSVNQP-UHFFFAOYSA-K
XLogP-6.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 5-6.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-1-prop-2-enylbenzimidazole
CID 70361625
2-chloro-1-prop-2-enylbenzimidazole
CID 39916426
6-chloro-2-methyl-1-prop-2-enylbenzimidazole
CID 134086168
2-(4-ethylphenyl)-1-prop-2-enylbenzimidazole
CID 169224537
2-(2-methylprop-2-enylsulfanyl)-1-prop-2-enylbenzimidazole
CID 46731807
2-(4-tert-butylphenyl)-1-prop-2-enylbenzimidazole
CID 84571434
N-methyl-1-(1-prop-2-enylbenzimidazol-2-yl)methanamine;dihydrochloride
CID 122236315
2-(2,4-dimethylphenyl)-1-prop-2-enylbenzimidazole
CID 16987511
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
1-(2,2-dimethylpropyl)-2-methylbenzimidazole
CID 21060284
2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
CID 134100901

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride?
The IUPAC name of 2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride (CID 173061092) is 2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride.
What is the SMILES notation for 2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride?
The canonical SMILES for 2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride is C=CCn1c(C)nc2ccccc21.[Cl-].[Cl-].[Cl-].[V].
What is the InChIKey of 2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride?
The InChIKey is PPKFNIBFKSVNQP-UHFFFAOYSA-K. The full InChI is InChI=1S/C11H12N2.3ClH.V/c1-3-8-13-9(2)12-10-6-4-5-7-11(10)13;;;;/h3-7H,1,8H2,2H3;3*1H;/p-3.
What are the key properties of 2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride?
2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride has a molecular weight of 329.53 g/mol, XLogP of -6.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride is sourced from PubChem (CID 173061092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).