(2S)-2-(3,4-dichlorophenyl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine

C18H23Cl2N3O — CID 95558937

IUPAC(2S)-2-(3,4-dichlorophenyl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine
SMILESCC(C)Cn1cncc1CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H23Cl2N3O/c1-13(2)9-23-12-21-8-15(23)10-22-5-6-24-18(11-22)14-3-4-16(19)17(20)7-14/h3-4,7-8,12-13,18H,5-6,9-11H2,1-2H3/t18-/m1/s1
InChIKeyYOUGXDRBYRPKGW-GOSISDBHSA-N
MW368.31 g/mol
LogP4.42
Rot. Bonds5

About (2S)-2-(3,4-dichlorophenyl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine

(2S)-2-(3,4-dichlorophenyl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine (PubChem CID 95558937) has the molecular formula C18H23Cl2N3O and a molecular weight of 368.31 g/mol. Its IUPAC name is (2S)-2-(3,4-dichlorophenyl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(3,4-dichlorophenyl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine
PubChem CID95558937
Molecular FormulaC18H23Cl2N3O
Molecular Weight368.31 g/mol
Exact Mass367.12
IUPAC Name(2S)-2-(3,4-dichlorophenyl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine
SMILESCC(C)Cn1cncc1CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H23Cl2N3O/c1-13(2)9-23-12-21-8-15(23)10-22-5-6-24-18(11-22)14-3-4-16(19)17(20)7-14/h3-4,7-8,12-13,18H,5-6,9-11H2,1-2H3/t18-/m1/s1
InChIKeyYOUGXDRBYRPKGW-GOSISDBHSA-N
XLogP4.42
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(3,4-dichlorophenyl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]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

2-(3,4-dichlorophenyl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine
CID 56879666
(2R)-2-(6-methoxynaphthalen-2-yl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine
CID 95543076
(2S)-2-(4-chlorophenyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine
CID 95550441
(2S)-2-(3,4-dichlorophenyl)-4-[(1-propan-2-ylpyrazol-4-yl)methyl]morpholine
CID 95549633
5-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 95558901
4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol
CID 95553357
(2S)-2-(3,4-dichlorophenyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine
CID 95557665
3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol
CID 95175790
3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-propan-2-ylpropanamide
CID 95175773
5-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid
CID 91660392
5-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid
CID 99853982
2-(3,4-dichlorophenyl)-4-(3-imidazol-1-ylpropyl)morpholine
CID 56880923

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dichlorophenyl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine?
The IUPAC name of (2S)-2-(3,4-dichlorophenyl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine (CID 95558937) is (2S)-2-(3,4-dichlorophenyl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine.
What is the SMILES notation for (2S)-2-(3,4-dichlorophenyl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine?
The canonical SMILES for (2S)-2-(3,4-dichlorophenyl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine is CC(C)Cn1cncc1CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of (2S)-2-(3,4-dichlorophenyl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine?
The InChIKey is YOUGXDRBYRPKGW-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23Cl2N3O/c1-13(2)9-23-12-21-8-15(23)10-22-5-6-24-18(11-22)14-3-4-16(19)17(20)7-14/h3-4,7-8,12-13,18H,5-6,9-11H2,1-2H3/t18-/m1/s1.
What are the key properties of (2S)-2-(3,4-dichlorophenyl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine?
(2S)-2-(3,4-dichlorophenyl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine has a molecular weight of 368.31 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dichlorophenyl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine is sourced from PubChem (CID 95558937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).