1-(benzimidazol-1-yl)-5-methyl-N-propylhexan-2-amine

C17H27N3 — CID 105127217

IUPAC1-(benzimidazol-1-yl)-5-methyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)C)Cn1cnc2ccccc21
InChIInChI=1S/C17H27N3/c1-4-11-18-15(10-9-14(2)3)12-20-13-19-16-7-5-6-8-17(16)20/h5-8,13-15,18H,4,9-12H2,1-3H3
InChIKeyGRGOEHQFGGIHCY-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.84
Rot. Bonds8

About 1-(benzimidazol-1-yl)-5-methyl-N-propylhexan-2-amine

1-(benzimidazol-1-yl)-5-methyl-N-propylhexan-2-amine (PubChem CID 105127217) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-5-methyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-5-methyl-N-propylhexan-2-amine
PubChem CID105127217
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-(benzimidazol-1-yl)-5-methyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)C)Cn1cnc2ccccc21
InChIInChI=1S/C17H27N3/c1-4-11-18-15(10-9-14(2)3)12-20-13-19-16-7-5-6-8-17(16)20/h5-8,13-15,18H,4,9-12H2,1-3H3
InChIKeyGRGOEHQFGGIHCY-UHFFFAOYSA-N
XLogP3.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(benzimidazol-1-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine
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[1-(benzimidazol-1-yl)-4-methylpentan-2-yl]hydrazine
CID 105282683
N-[3-(benzimidazol-1-yl)propyl]-5-methylhexan-2-amine
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N-[2-(benzimidazol-1-yl)-1-pyridin-3-ylethyl]propan-1-amine
CID 105098601
1-(benzimidazol-1-yl)propan-2-ol
CID 22504258
1-(benzimidazol-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine
CID 103031480
1-(2-heptadecylicosyl)benzimidazole
CID 59202249
1-(benzimidazol-1-yl)hexan-2-amine
CID 105125140
1-(benzimidazol-1-yl)-N-ethylpent-4-en-2-amine
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CID 105077571

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-5-methyl-N-propylhexan-2-amine?
The IUPAC name of 1-(benzimidazol-1-yl)-5-methyl-N-propylhexan-2-amine (CID 105127217) is 1-(benzimidazol-1-yl)-5-methyl-N-propylhexan-2-amine.
What is the SMILES notation for 1-(benzimidazol-1-yl)-5-methyl-N-propylhexan-2-amine?
The canonical SMILES for 1-(benzimidazol-1-yl)-5-methyl-N-propylhexan-2-amine is CCCNC(CCC(C)C)Cn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-5-methyl-N-propylhexan-2-amine?
The InChIKey is GRGOEHQFGGIHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-4-11-18-15(10-9-14(2)3)12-20-13-19-16-7-5-6-8-17(16)20/h5-8,13-15,18H,4,9-12H2,1-3H3.
What are the key properties of 1-(benzimidazol-1-yl)-5-methyl-N-propylhexan-2-amine?
1-(benzimidazol-1-yl)-5-methyl-N-propylhexan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-5-methyl-N-propylhexan-2-amine is sourced from PubChem (CID 105127217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).