1-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine

C14H19N3 — CID 82332995

IUPAC1-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine
SMILESC=C(C)Cn1c(C(C)N)nc2cc(C)ccc21
InChIInChI=1S/C14H19N3/c1-9(2)8-17-13-6-5-10(3)7-12(13)16-14(17)11(4)15/h5-7,11H,1,8,15H2,2-4H3
InChIKeyRLNQRGMRRUIFKJ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.94
Rot. Bonds3

About 1-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine

1-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine (PubChem CID 82332995) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine
PubChem CID82332995
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine
SMILESC=C(C)Cn1c(C(C)N)nc2cc(C)ccc21
InChIInChI=1S/C14H19N3/c1-9(2)8-17-13-6-5-10(3)7-12(13)16-14(17)11(4)15/h5-7,11H,1,8,15H2,2-4H3
InChIKeyRLNQRGMRRUIFKJ-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
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

1-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine
CID 82333991
1-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine
CID 82334728
4-[2-(1-aminoethyl)-5-methylbenzimidazol-1-yl]butan-2-one
CID 82333004
1-amino-1-(1-ethyl-5-methylbenzimidazol-2-yl)propan-2-ol
CID 60785614
2-methyl-N-[2-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propan-1-amine
CID 82333162
5-methyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole
CID 82333242
2-(1-ethyl-5-methylbenzimidazol-2-yl)propan-1-amine
CID 62675893
2-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 54919779
4-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]butanamide
CID 60863978
3-methyl-1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
CID 82333059
2-(1-chloroethyl)-1-(2-cyclopropylpropyl)-5-methylbenzimidazole
CID 113475669
2-[5-methyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetic acid
CID 82310922

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine?
The IUPAC name of 1-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine (CID 82332995) is 1-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine is C=C(C)Cn1c(C(C)N)nc2cc(C)ccc21.
What is the InChIKey of 1-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine?
The InChIKey is RLNQRGMRRUIFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-9(2)8-17-13-6-5-10(3)7-12(13)16-14(17)11(4)15/h5-7,11H,1,8,15H2,2-4H3.
What are the key properties of 1-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine?
1-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 82332995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).