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

C17H25N3 — CID 82334068

IUPACN-methyl-2-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine
SMILESC=C(C)Cn1c(CCNC)nc2cc(C(C)C)ccc21
InChIInChI=1S/C17H25N3/c1-12(2)11-20-16-7-6-14(13(3)4)10-15(16)19-17(20)8-9-18-5/h6-7,10,13,18H,1,8-9,11H2,2-5H3
InChIKeyQLOOIUWXJITQQX-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.50
Rot. Bonds6

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

N-methyl-2-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine (PubChem CID 82334068) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-methyl-2-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine
PubChem CID82334068
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-methyl-2-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine
SMILESC=C(C)Cn1c(CCNC)nc2cc(C(C)C)ccc21
InChIInChI=1S/C17H25N3/c1-12(2)11-20-16-7-6-14(13(3)4)10-15(16)19-17(20)8-9-18-5/h6-7,10,13,18H,1,8-9,11H2,2-5H3
InChIKeyQLOOIUWXJITQQX-UHFFFAOYSA-N
XLogP3.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.50
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-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
CID 82334164
N-methyl-2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 82334064
1-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine
CID 82333991
2-methyl-N-[2-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propan-1-amine
CID 82333162
2-(chloromethyl)-1-(2-methylprop-2-enyl)-5-propan-2-yloxybenzimidazole
CID 82335383
[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
CID 82334161
2-(5-propan-2-yl-1-prop-2-ynylbenzimidazol-2-yl)ethanethiol
CID 82334227
3-[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]propanoic acid
CID 82333910
1-(2-methylprop-2-enyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole
CID 82334213
3-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]propan-1-ol
CID 82334844
[5-fluoro-1-(2-methylprop-2-enyl)benzimidazol-2-yl]methanol
CID 82332366
N-[2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82334086

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine?
The IUPAC name of N-methyl-2-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine (CID 82334068) is N-methyl-2-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-2-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine is C=C(C)Cn1c(CCNC)nc2cc(C(C)C)ccc21.
What is the InChIKey of N-methyl-2-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine?
The InChIKey is QLOOIUWXJITQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12(2)11-20-16-7-6-14(13(3)4)10-15(16)19-17(20)8-9-18-5/h6-7,10,13,18H,1,8-9,11H2,2-5H3.
What are the key properties of N-methyl-2-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine?
N-methyl-2-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine is sourced from PubChem (CID 82334068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).