N-(2-ethoxyethyl)-2-(2-propylbenzimidazol-1-yl)ethanamine

C16H25N3O — CID 115971123

IUPACN-(2-ethoxyethyl)-2-(2-propylbenzimidazol-1-yl)ethanamine
SMILESCCCc1nc2ccccc2n1CCNCCOCC
InChIInChI=1S/C16H25N3O/c1-3-7-16-18-14-8-5-6-9-15(14)19(16)12-10-17-11-13-20-4-2/h5-6,8-9,17H,3-4,7,10-13H2,1-2H3
InChIKeyJEAFMBHRRPNMDR-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.61
Rot. Bonds9

About N-(2-ethoxyethyl)-2-(2-propylbenzimidazol-1-yl)ethanamine

N-(2-ethoxyethyl)-2-(2-propylbenzimidazol-1-yl)ethanamine (PubChem CID 115971123) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-(2-propylbenzimidazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-(2-propylbenzimidazol-1-yl)ethanamine
PubChem CID115971123
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(2-ethoxyethyl)-2-(2-propylbenzimidazol-1-yl)ethanamine
SMILESCCCc1nc2ccccc2n1CCNCCOCC
InChIInChI=1S/C16H25N3O/c1-3-7-16-18-14-8-5-6-9-15(14)19(16)12-10-17-11-13-20-4-2/h5-6,8-9,17H,3-4,7,10-13H2,1-2H3
InChIKeyJEAFMBHRRPNMDR-UHFFFAOYSA-N
XLogP2.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-ethoxyethyl)-2-(2-propylbenzimidazol-1-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

N-(2-butoxyethyl)-2-(2-ethylbenzimidazol-1-yl)ethanamine
CID 63107484
N-(2-methoxyethyl)-3-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 115970736
N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16974362
1-(3-methylbut-3-enyl)-2-propylbenzimidazole
CID 114476798
2-methyl-N-[3-(2-propylbenzimidazol-1-yl)propyl]propan-1-amine
CID 115970737
N-[2-(2-propylbenzimidazol-1-yl)ethyl]cyclopentanamine
CID 115971115
N-propan-2-yl-3-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632150
1-cyclopropyl-N-[2-(2-propylbenzimidazol-1-yl)ethyl]ethanamine
CID 115971092
2-chloro-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976156
3-(2-propylbenzimidazol-1-yl)propanenitrile
CID 15259068
N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 63106194
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2-(2-propylbenzimidazol-1-yl)ethanamine?
The IUPAC name of N-(2-ethoxyethyl)-2-(2-propylbenzimidazol-1-yl)ethanamine (CID 115971123) is N-(2-ethoxyethyl)-2-(2-propylbenzimidazol-1-yl)ethanamine.
What is the SMILES notation for N-(2-ethoxyethyl)-2-(2-propylbenzimidazol-1-yl)ethanamine?
The canonical SMILES for N-(2-ethoxyethyl)-2-(2-propylbenzimidazol-1-yl)ethanamine is CCCc1nc2ccccc2n1CCNCCOCC.
What is the InChIKey of N-(2-ethoxyethyl)-2-(2-propylbenzimidazol-1-yl)ethanamine?
The InChIKey is JEAFMBHRRPNMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-7-16-18-14-8-5-6-9-15(14)19(16)12-10-17-11-13-20-4-2/h5-6,8-9,17H,3-4,7,10-13H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-2-(2-propylbenzimidazol-1-yl)ethanamine?
N-(2-ethoxyethyl)-2-(2-propylbenzimidazol-1-yl)ethanamine has a molecular weight of 275.40 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-(2-propylbenzimidazol-1-yl)ethanamine is sourced from PubChem (CID 115971123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).