1-(1-hexyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine

C17H27N3O2 — CID 82024968

IUPAC1-(1-hexyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine
SMILESCCCCCCn1c(C(C)N)nc2cc(OC)c(OC)cc21
InChIInChI=1S/C17H27N3O2/c1-5-6-7-8-9-20-14-11-16(22-4)15(21-3)10-13(14)19-17(20)12(2)18/h10-12H,5-9,18H2,1-4H3
InChIKeyAHGTVRURYDKINX-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.65
Rot. Bonds8

About 1-(1-hexyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine

1-(1-hexyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine (PubChem CID 82024968) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-(1-hexyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1-hexyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine
PubChem CID82024968
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-(1-hexyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine
SMILESCCCCCCn1c(C(C)N)nc2cc(OC)c(OC)cc21
InChIInChI=1S/C17H27N3O2/c1-5-6-7-8-9-20-14-11-16(22-4)15(21-3)10-13(14)19-17(20)12(2)18/h10-12H,5-9,18H2,1-4H3
InChIKeyAHGTVRURYDKINX-UHFFFAOYSA-N
XLogP3.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine
CID 74554180
1-(1-butyl-5,6-dimethoxybenzimidazol-2-yl)propan-1-amine
CID 82024996
2-(1-chloroethyl)-5-fluoro-6-methoxy-1-pentylbenzimidazole
CID 63597385
2-[2-(1-aminoethyl)-5,6-dimethoxybenzimidazol-1-yl]acetonitrile
CID 82024969
1-(1-nonylbenzimidazol-2-yl)ethanamine
CID 82024716
3-[2-(1-aminopropyl)-5,6-dimethoxybenzimidazol-1-yl]propanoic acid
CID 82025004
1-[5,6-dimethoxy-1-(2-methylpropyl)benzimidazol-2-yl]propan-1-amine
CID 82025003
1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine
CID 82332092
5,6-dimethoxy-1-(5-methylhexyl)benzimidazol-2-amine
CID 83003477
3-[2-[(1S)-1-hydroxyethyl]-5,6-dimethoxybenzimidazol-1-yl]propanoic acid
CID 66262870
1-(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)ethanamine
CID 82335259
3,4-dimethoxy-N-[1-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 17009941

Frequently Asked Questions

What is the IUPAC name of 1-(1-hexyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine?
The IUPAC name of 1-(1-hexyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine (CID 82024968) is 1-(1-hexyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(1-hexyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(1-hexyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine is CCCCCCn1c(C(C)N)nc2cc(OC)c(OC)cc21.
What is the InChIKey of 1-(1-hexyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine?
The InChIKey is AHGTVRURYDKINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-5-6-7-8-9-20-14-11-16(22-4)15(21-3)10-13(14)19-17(20)12(2)18/h10-12H,5-9,18H2,1-4H3.
What are the key properties of 1-(1-hexyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine?
1-(1-hexyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine has a molecular weight of 305.42 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hexyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 82024968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).