2-[[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4-methylmorpholine

C15H19Cl2N3O — CID 115471690

IUPAC2-[[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4-methylmorpholine
SMILESCC(Cl)c1nc2ccc(Cl)cc2n1CC1CN(C)CCO1
InChIInChI=1S/C15H19Cl2N3O/c1-10(16)15-18-13-4-3-11(17)7-14(13)20(15)9-12-8-19(2)5-6-21-12/h3-4,7,10,12H,5-6,8-9H2,1-2H3
InChIKeyXGHGVVVTGPIQAB-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.32
Rot. Bonds3

About 2-[[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4-methylmorpholine

2-[[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4-methylmorpholine (PubChem CID 115471690) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is 2-[[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4-methylmorpholine.

Molecular Properties

Compound Name2-[[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4-methylmorpholine
PubChem CID115471690
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name2-[[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4-methylmorpholine
SMILESCC(Cl)c1nc2ccc(Cl)cc2n1CC1CN(C)CCO1
InChIInChI=1S/C15H19Cl2N3O/c1-10(16)15-18-13-4-3-11(17)7-14(13)20(15)9-12-8-19(2)5-6-21-12/h3-4,7,10,12H,5-6,8-9H2,1-2H3
InChIKeyXGHGVVVTGPIQAB-UHFFFAOYSA-N
XLogP3.32
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.32
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-(cyclopropylmethyl)benzimidazole
CID 115470751
6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole
CID 115471062
6-chloro-2-(1-chloroethyl)-1-(3-methylsulfanylbutyl)benzimidazole
CID 113494127
2-(1-chloroethyl)-6-fluoro-1-(oxolan-2-ylmethyl)benzimidazole
CID 62378406
4-[2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]thiomorpholine
CID 106326511
6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole
CID 115471567
5-[[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-3-methyl-1,2-oxazole
CID 115471371
1-[(4-bromophenyl)methyl]-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115470996
6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole
CID 113316296
6-chloro-2-(1-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 115470773
6-chloro-2-(1-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole
CID 115471181
1-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-(1-chloroethyl)benzimidazole
CID 106038122

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4-methylmorpholine?
The IUPAC name of 2-[[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4-methylmorpholine (CID 115471690) is 2-[[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4-methylmorpholine.
What is the SMILES notation for 2-[[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4-methylmorpholine?
The canonical SMILES for 2-[[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4-methylmorpholine is CC(Cl)c1nc2ccc(Cl)cc2n1CC1CN(C)CCO1.
What is the InChIKey of 2-[[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4-methylmorpholine?
The InChIKey is XGHGVVVTGPIQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c1-10(16)15-18-13-4-3-11(17)7-14(13)20(15)9-12-8-19(2)5-6-21-12/h3-4,7,10,12H,5-6,8-9H2,1-2H3.
What are the key properties of 2-[[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4-methylmorpholine?
2-[[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4-methylmorpholine has a molecular weight of 328.24 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4-methylmorpholine is sourced from PubChem (CID 115471690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).