N-[(6-methoxybenzimidazol-1-yl)methyl]-N-octyloctan-1-amine

C25H43N3O — CID 134294678

IUPACN-[(6-methoxybenzimidazol-1-yl)methyl]-N-octyloctan-1-amine
SMILESCCCCCCCCN(CCCCCCCC)Cn1cnc2ccc(OC)cc21
InChIInChI=1S/C25H43N3O/c1-4-6-8-10-12-14-18-27(19-15-13-11-9-7-5-2)22-28-21-26-24-17-16-23(29-3)20-25(24)28/h16-17,20-21H,4-15,18-19,22H2,1-3H3
InChIKeyNKHNTDFQEWNMLI-UHFFFAOYSA-N
MW401.64 g/mol
LogP7.03
Rot. Bonds17

About N-[(6-methoxybenzimidazol-1-yl)methyl]-N-octyloctan-1-amine

N-[(6-methoxybenzimidazol-1-yl)methyl]-N-octyloctan-1-amine (PubChem CID 134294678) has the molecular formula C25H43N3O and a molecular weight of 401.64 g/mol. Its IUPAC name is N-[(6-methoxybenzimidazol-1-yl)methyl]-N-octyloctan-1-amine.

Molecular Properties

Compound NameN-[(6-methoxybenzimidazol-1-yl)methyl]-N-octyloctan-1-amine
PubChem CID134294678
Molecular FormulaC25H43N3O
Molecular Weight401.64 g/mol
Exact Mass401.34
IUPAC NameN-[(6-methoxybenzimidazol-1-yl)methyl]-N-octyloctan-1-amine
SMILESCCCCCCCCN(CCCCCCCC)Cn1cnc2ccc(OC)cc21
InChIInChI=1S/C25H43N3O/c1-4-6-8-10-12-14-18-27(19-15-13-11-9-7-5-2)22-28-21-26-24-17-16-23(29-3)20-25(24)28/h16-17,20-21H,4-15,18-19,22H2,1-3H3
InChIKeyNKHNTDFQEWNMLI-UHFFFAOYSA-N
XLogP7.03
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.64
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(6-methoxybenzimidazol-1-yl)methyl]-N-octyloctan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(6-nitrobenzimidazol-1-yl)methyl]-N-octyloctan-1-amine
CID 134294693
2-(6-methoxybenzimidazol-1-yl)acetic acid
CID 84778979
N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]-N-octyloctan-1-amine
CID 134294647
6-ethoxy-1-ethylbenzimidazole
CID 54758751
4-(5-methoxybenzotriazol-2-yl)-N-methyl-N-octylaniline
CID 19925966
4-[(6-methoxybenzimidazol-1-yl)methyl]benzoic acid
CID 100986935
1-tert-butyl-6-methoxybenzimidazole
CID 21460432
4-(diheptylamino)-N-(6-methoxyquinolin-4-yl)butanamide
CID 44534039
2,2,2-trifluoro-N-[2-(6-methoxybenzimidazol-1-yl)ethyl]acetamide
CID 18947290
2-heptylsulfanyl-6-methoxy-1-methylbenzimidazole;hydrobromide
CID 163342576
6-methoxy-1-phenylbenzimidazole
CID 652633
1-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]propyl]-6-methoxybenzimidazole
CID 57036607

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxybenzimidazol-1-yl)methyl]-N-octyloctan-1-amine?
The IUPAC name of N-[(6-methoxybenzimidazol-1-yl)methyl]-N-octyloctan-1-amine (CID 134294678) is N-[(6-methoxybenzimidazol-1-yl)methyl]-N-octyloctan-1-amine.
What is the SMILES notation for N-[(6-methoxybenzimidazol-1-yl)methyl]-N-octyloctan-1-amine?
The canonical SMILES for N-[(6-methoxybenzimidazol-1-yl)methyl]-N-octyloctan-1-amine is CCCCCCCCN(CCCCCCCC)Cn1cnc2ccc(OC)cc21.
What is the InChIKey of N-[(6-methoxybenzimidazol-1-yl)methyl]-N-octyloctan-1-amine?
The InChIKey is NKHNTDFQEWNMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N3O/c1-4-6-8-10-12-14-18-27(19-15-13-11-9-7-5-2)22-28-21-26-24-17-16-23(29-3)20-25(24)28/h16-17,20-21H,4-15,18-19,22H2,1-3H3.
What are the key properties of N-[(6-methoxybenzimidazol-1-yl)methyl]-N-octyloctan-1-amine?
N-[(6-methoxybenzimidazol-1-yl)methyl]-N-octyloctan-1-amine has a molecular weight of 401.64 g/mol, XLogP of 7.03, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxybenzimidazol-1-yl)methyl]-N-octyloctan-1-amine is sourced from PubChem (CID 134294678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).