4-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine

C20H22ClN3O — CID 18885131

IUPAC4-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
SMILESCC(c1nc2ccccc2n1Cc1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C20H22ClN3O/c1-15(23-9-11-25-12-10-23)20-22-18-7-2-3-8-19(18)24(20)14-16-5-4-6-17(21)13-16/h2-8,13,15H,9-12,14H2,1H3
InChIKeyMLSSSIRGSZCTPI-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.13
Rot. Bonds4

About 4-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine

4-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine (PubChem CID 18885131) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 4-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
PubChem CID18885131
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name4-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
SMILESCC(c1nc2ccccc2n1Cc1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C20H22ClN3O/c1-15(23-9-11-25-12-10-23)20-22-18-7-2-3-8-19(18)24(20)14-16-5-4-6-17(21)13-16/h2-8,13,15H,9-12,14H2,1H3
InChIKeyMLSSSIRGSZCTPI-UHFFFAOYSA-N
XLogP4.13
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine 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-[(1S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 96571422
4-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885134
4-[(1S)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 96571426
3-[2-(1-morpholin-4-ylethyl)benzimidazol-1-yl]propan-1-amine
CID 82310821
1-[(3-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole
CID 974585
2-[1-(azepan-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]benzimidazole
CID 18885276
4-[1-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885118
1-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)benzimidazole
CID 20930565
1-benzyl-5-chloro-2-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzimidazole
CID 36641259
1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
CID 90665116
4-[2-amino-2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]phenol
CID 134083465
2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879539

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine?
The IUPAC name of 4-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine (CID 18885131) is 4-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine.
What is the SMILES notation for 4-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine?
The canonical SMILES for 4-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine is CC(c1nc2ccccc2n1Cc1cccc(Cl)c1)N1CCOCC1.
What is the InChIKey of 4-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine?
The InChIKey is MLSSSIRGSZCTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-15(23-9-11-25-12-10-23)20-22-18-7-2-3-8-19(18)24(20)14-16-5-4-6-17(21)13-16/h2-8,13,15H,9-12,14H2,1H3.
What are the key properties of 4-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine?
4-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine has a molecular weight of 355.87 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine is sourced from PubChem (CID 18885131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).