1-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine

C16H23N3 — CID 82333991

IUPAC1-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine
SMILESC=C(C)Cn1c(C(C)N)nc2cc(C(C)C)ccc21
InChIInChI=1S/C16H23N3/c1-10(2)9-19-15-7-6-13(11(3)4)8-14(15)18-16(19)12(5)17/h6-8,11-12H,1,9,17H2,2-5H3
InChIKeyGABFNTBKPBSXFJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.76
Rot. Bonds4

About 1-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine

1-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine (PubChem CID 82333991) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine
PubChem CID82333991
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine
SMILESC=C(C)Cn1c(C(C)N)nc2cc(C(C)C)ccc21
InChIInChI=1S/C16H23N3/c1-10(2)9-19-15-7-6-13(11(3)4)8-14(15)18-16(19)12(5)17/h6-8,11-12H,1,9,17H2,2-5H3
InChIKeyGABFNTBKPBSXFJ-UHFFFAOYSA-N
XLogP3.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.76
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-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine
CID 82332995
1-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine
CID 82334728
[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
CID 82334164
1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]ethanamine
CID 82333992
N-methyl-2-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine
CID 82334068
1-[1,5-di(propan-2-yl)benzimidazol-2-yl]ethanamine
CID 82333985
2-(1-chloroethyl)-5-propan-2-yl-1-prop-2-enylbenzimidazole
CID 82334188
1-(2-methylprop-2-enyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole
CID 82334213
1-[1,5-di(propan-2-yl)benzimidazol-2-yl]-3-methylbutan-1-amine
CID 82334028
1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]propan-1-amine
CID 82334045
2-[2-(1-chloroethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82334199
1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanamine
CID 82493456

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine?
The IUPAC name of 1-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine (CID 82333991) is 1-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine?
The canonical SMILES for 1-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine is C=C(C)Cn1c(C(C)N)nc2cc(C(C)C)ccc21.
What is the InChIKey of 1-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine?
The InChIKey is GABFNTBKPBSXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-10(2)9-19-15-7-6-13(11(3)4)8-14(15)18-16(19)12(5)17/h6-8,11-12H,1,9,17H2,2-5H3.
What are the key properties of 1-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine?
1-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine is sourced from PubChem (CID 82333991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).