1-(5,6-dimethyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine

C14H19N3 — CID 82024893

IUPAC1-(5,6-dimethyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine
SMILESC=CCn1c(C(C)N)nc2cc(C)c(C)cc21
InChIInChI=1S/C14H19N3/c1-5-6-17-13-8-10(3)9(2)7-12(13)16-14(17)11(4)15/h5,7-8,11H,1,6,15H2,2-4H3
InChIKeyOREZZPTYLWGAFR-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.86
Rot. Bonds3

About 1-(5,6-dimethyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine

1-(5,6-dimethyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine (PubChem CID 82024893) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5,6-dimethyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine
PubChem CID82024893
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-(5,6-dimethyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine
SMILESC=CCn1c(C(C)N)nc2cc(C)c(C)cc21
InChIInChI=1S/C14H19N3/c1-5-6-17-13-8-10(3)9(2)7-12(13)16-14(17)11(4)15/h5,7-8,11H,1,6,15H2,2-4H3
InChIKeyOREZZPTYLWGAFR-UHFFFAOYSA-N
XLogP2.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(1-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol
CID 82024907
2-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)ethanamine
CID 82145095
2-(1-chloroethyl)-5-propan-2-yl-1-prop-2-enylbenzimidazole
CID 82334188
1-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine
CID 74554180
1-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 82333037
3-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)propanenitrile
CID 82145106
2-(1-bromopropyl)-5-fluoro-1-prop-2-enylbenzimidazole
CID 82332407
1-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)butan-1-amine
CID 82334391
1-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine
CID 82332995
2-[2-(1-aminoethyl)-5,6-dimethoxybenzimidazol-1-yl]acetonitrile
CID 82024969
1-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine
CID 82333991
(1S)-1-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 54758434

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine?
The IUPAC name of 1-(5,6-dimethyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine (CID 82024893) is 1-(5,6-dimethyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(5,6-dimethyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(5,6-dimethyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine is C=CCn1c(C(C)N)nc2cc(C)c(C)cc21.
What is the InChIKey of 1-(5,6-dimethyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine?
The InChIKey is OREZZPTYLWGAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-5-6-17-13-8-10(3)9(2)7-12(13)16-14(17)11(4)15/h5,7-8,11H,1,6,15H2,2-4H3.
What are the key properties of 1-(5,6-dimethyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine?
1-(5,6-dimethyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 82024893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).