1,6-diethyl-N-(3-morpholin-4-ylpropyl)benzimidazol-2-amine

C18H28N4O — CID 143063274

IUPAC1,6-diethyl-N-(3-morpholin-4-ylpropyl)benzimidazol-2-amine
SMILESCCc1ccc2nc(NCCCN3CCOCC3)n(CC)c2c1
InChIInChI=1S/C18H28N4O/c1-3-15-6-7-16-17(14-15)22(4-2)18(20-16)19-8-5-9-21-10-12-23-13-11-21/h6-7,14H,3-5,8-13H2,1-2H3,(H,19,20)
InChIKeyIEFCOBPCWVNXPX-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.75
Rot. Bonds7

About 1,6-diethyl-N-(3-morpholin-4-ylpropyl)benzimidazol-2-amine

1,6-diethyl-N-(3-morpholin-4-ylpropyl)benzimidazol-2-amine (PubChem CID 143063274) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 1,6-diethyl-N-(3-morpholin-4-ylpropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1,6-diethyl-N-(3-morpholin-4-ylpropyl)benzimidazol-2-amine
PubChem CID143063274
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name1,6-diethyl-N-(3-morpholin-4-ylpropyl)benzimidazol-2-amine
SMILESCCc1ccc2nc(NCCCN3CCOCC3)n(CC)c2c1
InChIInChI=1S/C18H28N4O/c1-3-15-6-7-16-17(14-15)22(4-2)18(20-16)19-8-5-9-21-10-12-23-13-11-21/h6-7,14H,3-5,8-13H2,1-2H3,(H,19,20)
InChIKeyIEFCOBPCWVNXPX-UHFFFAOYSA-N
XLogP2.75
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,6-diethyl-N-(3-morpholin-4-ylpropyl)benzimidazol-2-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

1-ethyl-N-(2-morpholin-4-ylethyl)benzimidazol-2-amine;dihydrochloride
CID 44888954
6-ethyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 21002676
2-[[6-[[1-ethyl-5-(2-hydroxyethylamino)pyrazol-4-yl]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 59833468
3-[4-methyl-2-[[2-(3-morpholin-4-ylpropylamino)-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methylamino]phenyl]propan-1-ol
CID 59833438
2-[[6-(chloromethyl)-2-(2-morpholin-4-ylethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 70319389
ethyl 1-ethyl-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carboxylate
CID 143063190
4-[N-[[3-[(3-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methyl]-3,5-dimethylanilino]butanamide
CID 70333663
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
5-[[3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methyl]-1-(2-phenylethyl)-3H-imidazo[4,5-c]pyridin-5-ium-2-one
CID 70320052
1-ethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-amine;hydrobromide
CID 18460636
N-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968647
N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152140

Frequently Asked Questions

What is the IUPAC name of 1,6-diethyl-N-(3-morpholin-4-ylpropyl)benzimidazol-2-amine?
The IUPAC name of 1,6-diethyl-N-(3-morpholin-4-ylpropyl)benzimidazol-2-amine (CID 143063274) is 1,6-diethyl-N-(3-morpholin-4-ylpropyl)benzimidazol-2-amine.
What is the SMILES notation for 1,6-diethyl-N-(3-morpholin-4-ylpropyl)benzimidazol-2-amine?
The canonical SMILES for 1,6-diethyl-N-(3-morpholin-4-ylpropyl)benzimidazol-2-amine is CCc1ccc2nc(NCCCN3CCOCC3)n(CC)c2c1.
What is the InChIKey of 1,6-diethyl-N-(3-morpholin-4-ylpropyl)benzimidazol-2-amine?
The InChIKey is IEFCOBPCWVNXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-3-15-6-7-16-17(14-15)22(4-2)18(20-16)19-8-5-9-21-10-12-23-13-11-21/h6-7,14H,3-5,8-13H2,1-2H3,(H,19,20).
What are the key properties of 1,6-diethyl-N-(3-morpholin-4-ylpropyl)benzimidazol-2-amine?
1,6-diethyl-N-(3-morpholin-4-ylpropyl)benzimidazol-2-amine has a molecular weight of 316.45 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diethyl-N-(3-morpholin-4-ylpropyl)benzimidazol-2-amine is sourced from PubChem (CID 143063274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).