2-(2-methylprop-2-enylselanyl)-1H-benzimidazole

C11H12N2Se — CID 3739080

IUPAC2-(2-methylprop-2-enylselanyl)-1H-benzimidazole
SMILESC=C(C)C[Se]c1nc2ccccc2[nH]1
InChIInChI=1S/C11H12N2Se/c1-8(2)7-14-11-12-9-5-3-4-6-10(9)13-11/h3-6H,1,7H2,2H3,(H,12,13)
InChIKeyUIGXFUADQWDWTB-UHFFFAOYSA-N
MW251.19 g/mol
LogP1.89
Rot. Bonds3

About 2-(2-methylprop-2-enylselanyl)-1H-benzimidazole

2-(2-methylprop-2-enylselanyl)-1H-benzimidazole (PubChem CID 3739080) has the molecular formula C11H12N2Se and a molecular weight of 251.19 g/mol. Its IUPAC name is 2-(2-methylprop-2-enylselanyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-methylprop-2-enylselanyl)-1H-benzimidazole
PubChem CID3739080
Molecular FormulaC11H12N2Se
Molecular Weight251.19 g/mol
Exact Mass252.02
IUPAC Name2-(2-methylprop-2-enylselanyl)-1H-benzimidazole
SMILESC=C(C)C[Se]c1nc2ccccc2[nH]1
InChIInChI=1S/C11H12N2Se/c1-8(2)7-14-11-12-9-5-3-4-6-10(9)13-11/h3-6H,1,7H2,2H3,(H,12,13)
InChIKeyUIGXFUADQWDWTB-UHFFFAOYSA-N
XLogP1.89
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylselanyl-1H-benzimidazole
CID 583074
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-benzimidazol-2-amine
CID 113341943
2-methyl-1H-benzimidazole
CID 11984
N,N-dimethyl-1H-benzimidazol-2-amine
CID 17846
2-(2-methylidenebut-3-enyl)-1H-benzimidazole
CID 163413437
1-N-(1H-benzimidazol-2-yl)-2-N-methylprop-2-ene-1,2-diamine
CID 143724992
N-(2-methylprop-2-enylideneamino)-1H-benzimidazol-2-amine
CID 131854072
N-(2-chloroprop-2-enyl)-1H-benzimidazol-2-amine
CID 115865665
1-(1H-benzimidazol-2-ylsulfanyl)-4-hydroperoxy-5-methylhex-5-en-2-ol
CID 58091790
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
N-(1H-benzimidazol-2-yl)-2-methylprop-1-en-1-imine
CID 23341799

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enylselanyl)-1H-benzimidazole?
The IUPAC name of 2-(2-methylprop-2-enylselanyl)-1H-benzimidazole (CID 3739080) is 2-(2-methylprop-2-enylselanyl)-1H-benzimidazole.
What is the SMILES notation for 2-(2-methylprop-2-enylselanyl)-1H-benzimidazole?
The canonical SMILES for 2-(2-methylprop-2-enylselanyl)-1H-benzimidazole is C=C(C)C[Se]c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(2-methylprop-2-enylselanyl)-1H-benzimidazole?
The InChIKey is UIGXFUADQWDWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2Se/c1-8(2)7-14-11-12-9-5-3-4-6-10(9)13-11/h3-6H,1,7H2,2H3,(H,12,13).
What are the key properties of 2-(2-methylprop-2-enylselanyl)-1H-benzimidazole?
2-(2-methylprop-2-enylselanyl)-1H-benzimidazole has a molecular weight of 251.19 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enylselanyl)-1H-benzimidazole is sourced from PubChem (CID 3739080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).