2-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine

C13H17N3 — CID 82332923

IUPAC2-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine
SMILESC=CCn1c(CCN)nc2cc(C)ccc21
InChIInChI=1S/C13H17N3/c1-3-8-16-12-5-4-10(2)9-11(12)15-13(16)6-7-14/h3-5,9H,1,6-8,14H2,2H3
InChIKeyOBGGPZJOHQOFIN-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.03
Rot. Bonds4

About 2-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine

2-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine (PubChem CID 82332923) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine
PubChem CID82332923
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine
SMILESC=CCn1c(CCN)nc2cc(C)ccc21
InChIInChI=1S/C13H17N3/c1-3-8-16-12-5-4-10(2)9-11(12)15-13(16)6-7-14/h3-5,9H,1,6-8,14H2,2H3
InChIKeyOBGGPZJOHQOFIN-UHFFFAOYSA-N
XLogP2.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.03
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

2-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]ethanamine
CID 171338197
2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 60785148
5-(1-ethyl-5-methylbenzimidazol-2-yl)-3,3-dimethylpentan-1-amine
CID 65284176
2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole
CID 43666424
1-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 82333037
2-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)sulfanylacetic acid
CID 43670376
2-(5-ethyl-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine
CID 82333637
1-(2-aminoethyl)-5-methylbenzimidazol-2-amine
CID 84771588
2-(5-ethoxy-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine
CID 82334793
2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82332966
2-(1,5-diethylbenzimidazol-2-yl)ethanamine
CID 82333476
3-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)propanoic acid
CID 82334264

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine?
The IUPAC name of 2-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine (CID 82332923) is 2-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for 2-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine is C=CCn1c(CCN)nc2cc(C)ccc21.
What is the InChIKey of 2-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine?
The InChIKey is OBGGPZJOHQOFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-8-16-12-5-4-10(2)9-11(12)15-13(16)6-7-14/h3-5,9H,1,6-8,14H2,2H3.
What are the key properties of 2-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine?
2-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 82332923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).