1-(1-nonylbenzimidazol-2-yl)ethanamine

C18H29N3 — CID 82024716

IUPAC1-(1-nonylbenzimidazol-2-yl)ethanamine
SMILESCCCCCCCCCn1c(C(C)N)nc2ccccc21
InChIInChI=1S/C18H29N3/c1-3-4-5-6-7-8-11-14-21-17-13-10-9-12-16(17)20-18(21)15(2)19/h9-10,12-13,15H,3-8,11,14,19H2,1-2H3
InChIKeyNZTGDDPKFSUGGK-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.81
Rot. Bonds9

About 1-(1-nonylbenzimidazol-2-yl)ethanamine

1-(1-nonylbenzimidazol-2-yl)ethanamine (PubChem CID 82024716) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(1-nonylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1-nonylbenzimidazol-2-yl)ethanamine
PubChem CID82024716
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-(1-nonylbenzimidazol-2-yl)ethanamine
SMILESCCCCCCCCCn1c(C(C)N)nc2ccccc21
InChIInChI=1S/C18H29N3/c1-3-4-5-6-7-8-11-14-21-17-13-10-9-12-16(17)20-18(21)15(2)19/h9-10,12-13,15H,3-8,11,14,19H2,1-2H3
InChIKeyNZTGDDPKFSUGGK-UHFFFAOYSA-N
XLogP4.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-nonylbenzimidazol-2-yl)ethanamine 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

2-benzhydryl-1-hexadecylbenzimidazole
CID 16987201
2-[1-(azepan-1-yl)ethyl]-1-hexylbenzimidazole
CID 18885264
N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572
2-[1-(3-methylphenoxy)ethyl]-1-nonylbenzimidazole
CID 18877805
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
CID 7023918
1-heptyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 94366017
1-hexyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 3851676
2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-nonylbenzimidazole
CID 94366022
1-hexyl-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7005495
1-(1-propylbenzimidazol-2-yl)pentan-1-amine
CID 43470293
1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole
CID 101260842
2-(1-phenoxypropyl)-1-undecylbenzimidazole
CID 18877986

Frequently Asked Questions

What is the IUPAC name of 1-(1-nonylbenzimidazol-2-yl)ethanamine?
The IUPAC name of 1-(1-nonylbenzimidazol-2-yl)ethanamine (CID 82024716) is 1-(1-nonylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(1-nonylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(1-nonylbenzimidazol-2-yl)ethanamine is CCCCCCCCCn1c(C(C)N)nc2ccccc21.
What is the InChIKey of 1-(1-nonylbenzimidazol-2-yl)ethanamine?
The InChIKey is NZTGDDPKFSUGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-3-4-5-6-7-8-11-14-21-17-13-10-9-12-16(17)20-18(21)15(2)19/h9-10,12-13,15H,3-8,11,14,19H2,1-2H3.
What are the key properties of 1-(1-nonylbenzimidazol-2-yl)ethanamine?
1-(1-nonylbenzimidazol-2-yl)ethanamine has a molecular weight of 287.45 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-nonylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 82024716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).