3-[2-(1-morpholin-4-ylethyl)benzimidazol-1-yl]propan-1-amine

C16H24N4O — CID 82310821

IUPAC3-[2-(1-morpholin-4-ylethyl)benzimidazol-1-yl]propan-1-amine
SMILESCC(c1nc2ccccc2n1CCCN)N1CCOCC1
InChIInChI=1S/C16H24N4O/c1-13(19-9-11-21-12-10-19)16-18-14-5-2-3-6-15(14)20(16)8-4-7-17/h2-3,5-6,13H,4,7-12,17H2,1H3
InChIKeySTWXMPGKDMHTOE-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.78
Rot. Bonds5

About 3-[2-(1-morpholin-4-ylethyl)benzimidazol-1-yl]propan-1-amine

3-[2-(1-morpholin-4-ylethyl)benzimidazol-1-yl]propan-1-amine (PubChem CID 82310821) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-[2-(1-morpholin-4-ylethyl)benzimidazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(1-morpholin-4-ylethyl)benzimidazol-1-yl]propan-1-amine
PubChem CID82310821
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name3-[2-(1-morpholin-4-ylethyl)benzimidazol-1-yl]propan-1-amine
SMILESCC(c1nc2ccccc2n1CCCN)N1CCOCC1
InChIInChI=1S/C16H24N4O/c1-13(19-9-11-21-12-10-19)16-18-14-5-2-3-6-15(14)20(16)8-4-7-17/h2-3,5-6,13H,4,7-12,17H2,1H3
InChIKeySTWXMPGKDMHTOE-UHFFFAOYSA-N
XLogP1.78
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(1-morpholin-4-ylethyl)benzimidazol-1-yl]propan-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

4-[1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885104
4-[(1S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 96571422
1-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole
CID 92735667
2-[1-(azepan-1-yl)ethyl]-1-butylbenzimidazole
CID 18885259
4-[1-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885118
4-[(1S)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 96571426
4-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885134
4-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885131
2-[1-(azepan-1-yl)ethyl]-1-hexylbenzimidazole
CID 18885264
3-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile
CID 82311578
1-[4-(4-methoxyphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
CID 18885098
1-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]butan-2-amine
CID 82311441

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-morpholin-4-ylethyl)benzimidazol-1-yl]propan-1-amine?
The IUPAC name of 3-[2-(1-morpholin-4-ylethyl)benzimidazol-1-yl]propan-1-amine (CID 82310821) is 3-[2-(1-morpholin-4-ylethyl)benzimidazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(1-morpholin-4-ylethyl)benzimidazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[2-(1-morpholin-4-ylethyl)benzimidazol-1-yl]propan-1-amine is CC(c1nc2ccccc2n1CCCN)N1CCOCC1.
What is the InChIKey of 3-[2-(1-morpholin-4-ylethyl)benzimidazol-1-yl]propan-1-amine?
The InChIKey is STWXMPGKDMHTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-13(19-9-11-21-12-10-19)16-18-14-5-2-3-6-15(14)20(16)8-4-7-17/h2-3,5-6,13H,4,7-12,17H2,1H3.
What are the key properties of 3-[2-(1-morpholin-4-ylethyl)benzimidazol-1-yl]propan-1-amine?
3-[2-(1-morpholin-4-ylethyl)benzimidazol-1-yl]propan-1-amine has a molecular weight of 288.39 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-morpholin-4-ylethyl)benzimidazol-1-yl]propan-1-amine is sourced from PubChem (CID 82310821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).