1-[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]ethanol

C16H22ClN3O2 — CID 46309522

IUPAC1-[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2ccc(Cl)cc2n1CCCN1CCOCC1
InChIInChI=1S/C16H22ClN3O2/c1-12(21)16-18-14-4-3-13(17)11-15(14)20(16)6-2-5-19-7-9-22-10-8-19/h3-4,11-12,21H,2,5-10H2,1H3
InChIKeyIRBOWSLDGVTEQY-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.47
Rot. Bonds5

About 1-[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]ethanol

1-[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]ethanol (PubChem CID 46309522) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 1-[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]ethanol
PubChem CID46309522
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name1-[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2ccc(Cl)cc2n1CCCN1CCOCC1
InChIInChI=1S/C16H22ClN3O2/c1-12(21)16-18-14-4-3-13(17)11-15(14)20(16)6-2-5-19-7-9-22-10-8-19/h3-4,11-12,21H,2,5-10H2,1H3
InChIKeyIRBOWSLDGVTEQY-UHFFFAOYSA-N
XLogP2.47
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]ethanol 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-[3-(6-chloro-2-propan-2-ylbenzimidazol-1-yl)propyl]morpholine
CID 46309516
[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]methanol
CID 46309520
4-[2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]thiomorpholine
CID 106326511
3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol
CID 46308438
4-[3-[6-chloro-2-[(2,4-dimethylphenoxy)methyl]benzimidazol-1-yl]propyl]morpholine
CID 46309567
(1R)-1-[5-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol
CID 51977609
2-(1-aminoethyl)-5-chloro-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
CID 118573634
8-chloro-10-[4-(dimethylamino)phenyl]-3-(3-morpholin-4-ylpropyl)benzo[g]pteridine-2,4-dione
CID 87721687
4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine
CID 43348277
4-[3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propyl]morpholine
CID 46309574
6-chloro-1-(2-methoxyethyl)-2-propan-2-ylbenzimidazole
CID 46309104
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol
CID 66742472

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]ethanol (CID 46309522) is 1-[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]ethanol is CC(O)c1nc2ccc(Cl)cc2n1CCCN1CCOCC1.
What is the InChIKey of 1-[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]ethanol?
The InChIKey is IRBOWSLDGVTEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-12(21)16-18-14-4-3-13(17)11-15(14)20(16)6-2-5-19-7-9-22-10-8-19/h3-4,11-12,21H,2,5-10H2,1H3.
What are the key properties of 1-[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]ethanol?
1-[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]ethanol has a molecular weight of 323.82 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]ethanol is sourced from PubChem (CID 46309522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).