1-(2-methylprop-2-enyl)-2-pyridin-3-ylbenzimidazol-4-amine

C16H16N4 — CID 82068147

IUPAC1-(2-methylprop-2-enyl)-2-pyridin-3-ylbenzimidazol-4-amine
SMILESC=C(C)Cn1c(-c2cccnc2)nc2c(N)cccc21
InChIInChI=1S/C16H16N4/c1-11(2)10-20-14-7-3-6-13(17)15(14)19-16(20)12-5-4-8-18-9-12/h3-9H,1,10,17H2,2H3
InChIKeyVWEPLYVWBIDRLA-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.26
Rot. Bonds3

About 1-(2-methylprop-2-enyl)-2-pyridin-3-ylbenzimidazol-4-amine

1-(2-methylprop-2-enyl)-2-pyridin-3-ylbenzimidazol-4-amine (PubChem CID 82068147) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-2-pyridin-3-ylbenzimidazol-4-amine.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-2-pyridin-3-ylbenzimidazol-4-amine
PubChem CID82068147
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name1-(2-methylprop-2-enyl)-2-pyridin-3-ylbenzimidazol-4-amine
SMILESC=C(C)Cn1c(-c2cccnc2)nc2c(N)cccc21
InChIInChI=1S/C16H16N4/c1-11(2)10-20-14-7-3-6-13(17)15(14)19-16(20)12-5-4-8-18-9-12/h3-9H,1,10,17H2,2H3
InChIKeyVWEPLYVWBIDRLA-UHFFFAOYSA-N
XLogP3.26
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-pyridin-3-ylbenzimidazol-4-amine
CID 82068140
2-[4-amino-2-(3-methylphenyl)benzimidazol-1-yl]ethanol
CID 82067826
ethyl 2-(2-pyridin-3-ylbenzimidazol-1-yl)acetate
CID 16644397
2-[4-amino-2-(4-fluorophenyl)benzimidazol-1-yl]acetamide
CID 82067899
3-methyl-2-pyridin-3-ylaniline
CID 22482419
3-(4-amino-2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid
CID 82068172
2-[4-amino-2-(3,4-difluorophenyl)benzimidazol-1-yl]acetamide
CID 82068333
2-(3-fluorophenyl)-1-(2-methylprop-2-enyl)benzimidazole
CID 143449401
2-(3,4-dimethylphenyl)-1-ethylbenzimidazol-4-amine
CID 82067963
4-pyridin-3-ylquinolin-8-amine
CID 176514975
7-amino-3-(2-methylprop-2-enyl)-1,3-benzoxazol-2-one
CID 28802580
2-methyl-3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine
CID 62224002

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-2-pyridin-3-ylbenzimidazol-4-amine?
The IUPAC name of 1-(2-methylprop-2-enyl)-2-pyridin-3-ylbenzimidazol-4-amine (CID 82068147) is 1-(2-methylprop-2-enyl)-2-pyridin-3-ylbenzimidazol-4-amine.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-2-pyridin-3-ylbenzimidazol-4-amine?
The canonical SMILES for 1-(2-methylprop-2-enyl)-2-pyridin-3-ylbenzimidazol-4-amine is C=C(C)Cn1c(-c2cccnc2)nc2c(N)cccc21.
What is the InChIKey of 1-(2-methylprop-2-enyl)-2-pyridin-3-ylbenzimidazol-4-amine?
The InChIKey is VWEPLYVWBIDRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-11(2)10-20-14-7-3-6-13(17)15(14)19-16(20)12-5-4-8-18-9-12/h3-9H,1,10,17H2,2H3.
What are the key properties of 1-(2-methylprop-2-enyl)-2-pyridin-3-ylbenzimidazol-4-amine?
1-(2-methylprop-2-enyl)-2-pyridin-3-ylbenzimidazol-4-amine has a molecular weight of 264.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-2-pyridin-3-ylbenzimidazol-4-amine is sourced from PubChem (CID 82068147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).