N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine

C16H25N3O — CID 82336889

IUPACN-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
SMILESCCCCCCNCCc1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C16H25N3O/c1-3-4-5-6-10-17-11-9-16-18-14-8-7-13(20-2)12-15(14)19-16/h7-8,12,17H,3-6,9-11H2,1-2H3,(H,18,19)
InChIKeyLBUMVZHUXOKPPZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.28
Rot. Bonds9

About N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine

N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine (PubChem CID 82336889) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine.

Molecular Properties

Compound NameN-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
PubChem CID82336889
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
SMILESCCCCCCNCCc1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C16H25N3O/c1-3-4-5-6-10-17-11-9-16-18-14-8-7-13(20-2)12-15(14)19-16/h7-8,12,17H,3-6,9-11H2,1-2H3,(H,18,19)
InChIKeyLBUMVZHUXOKPPZ-UHFFFAOYSA-N
XLogP3.28
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363
N-[2-(1H-benzimidazol-2-yl)ethyl]pentan-1-amine
CID 82336874
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine
CID 65017857
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336896
N-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336897
N-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]pentan-1-amine
CID 82336878
6-ethoxy-2-heptadecyl-1H-benzimidazole
CID 71336716
2-(6-methoxy-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 82337004
N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine
CID 43089137
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methoxypropan-1-amine
CID 82336781
4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine
CID 65018041

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine?
The IUPAC name of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine (CID 82336889) is N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine.
What is the SMILES notation for N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine?
The canonical SMILES for N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine is CCCCCCNCCc1nc2ccc(OC)cc2[nH]1.
What is the InChIKey of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine?
The InChIKey is LBUMVZHUXOKPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-4-5-6-10-17-11-9-16-18-14-8-7-13(20-2)12-15(14)19-16/h7-8,12,17H,3-6,9-11H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine?
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine is sourced from PubChem (CID 82336889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).