1-(benzimidazol-1-yl)-4-ethylhexan-2-amine

C15H23N3 — CID 105176644

IUPAC1-(benzimidazol-1-yl)-4-ethylhexan-2-amine
SMILESCCC(CC)CC(N)Cn1cnc2ccccc21
InChIInChI=1S/C15H23N3/c1-3-12(4-2)9-13(16)10-18-11-17-14-7-5-6-8-15(14)18/h5-8,11-13H,3-4,9-10,16H2,1-2H3
InChIKeyBXNSIMORQLKASC-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.19
Rot. Bonds6

About 1-(benzimidazol-1-yl)-4-ethylhexan-2-amine

1-(benzimidazol-1-yl)-4-ethylhexan-2-amine (PubChem CID 105176644) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-4-ethylhexan-2-amine.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-4-ethylhexan-2-amine
PubChem CID105176644
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-(benzimidazol-1-yl)-4-ethylhexan-2-amine
SMILESCCC(CC)CC(N)Cn1cnc2ccccc21
InChIInChI=1S/C15H23N3/c1-3-12(4-2)9-13(16)10-18-11-17-14-7-5-6-8-15(14)18/h5-8,11-13H,3-4,9-10,16H2,1-2H3
InChIKeyBXNSIMORQLKASC-UHFFFAOYSA-N
XLogP3.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzimidazol-1-yl)hexan-2-amine
CID 105125140
1-(benzimidazol-1-yl)butan-2-ol
CID 53276318
1-(benzimidazol-1-yl)pent-4-en-2-amine
CID 105107781
1-(benzimidazol-1-yl)hept-5-yn-2-amine
CID 105181339
[1-(benzimidazol-1-yl)-4-ethyloctan-2-yl]hydrazine
CID 105288251
[1-(benzimidazol-1-yl)-3-ethylpentan-2-yl]hydrazine
CID 105323983
1-(benzimidazol-1-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine
CID 105168831
1-(benzimidazol-1-yl)propan-2-ol
CID 22504258
1-(benzimidazol-1-yl)-3-(2-methoxyphenyl)propan-2-amine
CID 105107290
1-(benzimidazol-1-yl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105159359
1-(2-heptadecylicosyl)benzimidazole
CID 59202249
[1-(benzimidazol-1-yl)-4-methylpentan-2-yl]hydrazine
CID 105282683

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-4-ethylhexan-2-amine?
The IUPAC name of 1-(benzimidazol-1-yl)-4-ethylhexan-2-amine (CID 105176644) is 1-(benzimidazol-1-yl)-4-ethylhexan-2-amine.
What is the SMILES notation for 1-(benzimidazol-1-yl)-4-ethylhexan-2-amine?
The canonical SMILES for 1-(benzimidazol-1-yl)-4-ethylhexan-2-amine is CCC(CC)CC(N)Cn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-4-ethylhexan-2-amine?
The InChIKey is BXNSIMORQLKASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-3-12(4-2)9-13(16)10-18-11-17-14-7-5-6-8-15(14)18/h5-8,11-13H,3-4,9-10,16H2,1-2H3.
What are the key properties of 1-(benzimidazol-1-yl)-4-ethylhexan-2-amine?
1-(benzimidazol-1-yl)-4-ethylhexan-2-amine has a molecular weight of 245.37 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-4-ethylhexan-2-amine is sourced from PubChem (CID 105176644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).