2-methyl-N-[2-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propan-1-amine

C18H27N3 — CID 82333162

IUPAC2-methyl-N-[2-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propan-1-amine
SMILESC=C(C)Cn1c(CCNCC(C)C)nc2cc(C)ccc21
InChIInChI=1S/C18H27N3/c1-13(2)11-19-9-8-18-20-16-10-15(5)6-7-17(16)21(18)12-14(3)4/h6-7,10,13,19H,3,8-9,11-12H2,1-2,4-5H3
InChIKeyIJGSTEVFBQJFEQ-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.71
Rot. Bonds7

About 2-methyl-N-[2-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propan-1-amine

2-methyl-N-[2-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propan-1-amine (PubChem CID 82333162) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-methyl-N-[2-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propan-1-amine
PubChem CID82333162
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-methyl-N-[2-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propan-1-amine
SMILESC=C(C)Cn1c(CCNCC(C)C)nc2cc(C)ccc21
InChIInChI=1S/C18H27N3/c1-13(2)11-19-9-8-18-20-16-10-15(5)6-7-17(16)21(18)12-14(3)4/h6-7,10,13,19H,3,8-9,11-12H2,1-2,4-5H3
InChIKeyIJGSTEVFBQJFEQ-UHFFFAOYSA-N
XLogP3.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82333157
N-methyl-2-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine
CID 82334068
1-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine
CID 82332995
N-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 82332259
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 79750930
N-[2-(1-butyl-5-methylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82333142
[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
CID 82334164
2,4-dimethyl-N-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]benzamide
CID 16982506
[5-fluoro-1-(2-methylprop-2-enyl)benzimidazol-2-yl]methanol
CID 82332366
2-(chloromethyl)-1-(2-methylprop-2-enyl)-5-propan-2-yloxybenzimidazole
CID 82335383
N-[2-(5-ethoxy-1-methylbenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 82334825
5-methyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole
CID 82333242

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propan-1-amine (CID 82333162) is 2-methyl-N-[2-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propan-1-amine is C=C(C)Cn1c(CCNCC(C)C)nc2cc(C)ccc21.
What is the InChIKey of 2-methyl-N-[2-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propan-1-amine?
The InChIKey is IJGSTEVFBQJFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-13(2)11-19-9-8-18-20-16-10-15(5)6-7-17(16)21(18)12-14(3)4/h6-7,10,13,19H,3,8-9,11-12H2,1-2,4-5H3.
What are the key properties of 2-methyl-N-[2-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propan-1-amine?
2-methyl-N-[2-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 82333162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).