4-[2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]thiomorpholine

C15H19Cl2N3S — CID 106326511

IUPAC4-[2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]thiomorpholine
SMILESCC(Cl)c1nc2ccc(Cl)cc2n1CCN1CCSCC1
InChIInChI=1S/C15H19Cl2N3S/c1-11(16)15-18-13-3-2-12(17)10-14(13)20(15)5-4-19-6-8-21-9-7-19/h2-3,10-11H,4-9H2,1H3
InChIKeyREILCDRKRLUKKC-UHFFFAOYSA-N
MW344.31 g/mol
LogP4.04
Rot. Bonds4

About 4-[2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]thiomorpholine

4-[2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]thiomorpholine (PubChem CID 106326511) has the molecular formula C15H19Cl2N3S and a molecular weight of 344.31 g/mol. Its IUPAC name is 4-[2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]thiomorpholine.

Molecular Properties

Compound Name4-[2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]thiomorpholine
PubChem CID106326511
Molecular FormulaC15H19Cl2N3S
Molecular Weight344.31 g/mol
Exact Mass343.07
IUPAC Name4-[2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]thiomorpholine
SMILESCC(Cl)c1nc2ccc(Cl)cc2n1CCN1CCSCC1
InChIInChI=1S/C15H19Cl2N3S/c1-11(16)15-18-13-3-2-12(17)10-14(13)20(15)5-4-19-6-8-21-9-7-19/h2-3,10-11H,4-9H2,1H3
InChIKeyREILCDRKRLUKKC-UHFFFAOYSA-N
XLogP4.04
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole
CID 115471567
6-chloro-2-(1-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole
CID 115471181
6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole
CID 113316296
6-chloro-2-(1-chloroethyl)-1-(3-methylsulfanylbutyl)benzimidazole
CID 113494127
6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole
CID 115470751
4-[3-(6-chloro-2-propan-2-ylbenzimidazol-1-yl)propyl]morpholine
CID 46309516
1-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-(1-chloroethyl)benzimidazole
CID 106038122
1-[(4-bromophenyl)methyl]-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115470996
6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole
CID 115471062
1-[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]ethanol
CID 46309522
6-chloro-2-(1-chloroethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazole
CID 115471398
6-chloro-2-(1-chloroethyl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazole
CID 115471528

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]thiomorpholine?
The IUPAC name of 4-[2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]thiomorpholine (CID 106326511) is 4-[2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]thiomorpholine.
What is the SMILES notation for 4-[2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]thiomorpholine?
The canonical SMILES for 4-[2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]thiomorpholine is CC(Cl)c1nc2ccc(Cl)cc2n1CCN1CCSCC1.
What is the InChIKey of 4-[2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]thiomorpholine?
The InChIKey is REILCDRKRLUKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3S/c1-11(16)15-18-13-3-2-12(17)10-14(13)20(15)5-4-19-6-8-21-9-7-19/h2-3,10-11H,4-9H2,1H3.
What are the key properties of 4-[2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]thiomorpholine?
4-[2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]thiomorpholine has a molecular weight of 344.31 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]thiomorpholine is sourced from PubChem (CID 106326511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).