4-[2-(2-chloroethyl)-6-methylbenzimidazol-1-yl]morpholine

C14H18ClN3O — CID 83018016

IUPAC4-[2-(2-chloroethyl)-6-methylbenzimidazol-1-yl]morpholine
SMILESCc1ccc2nc(CCCl)n(N3CCOCC3)c2c1
InChIInChI=1S/C14H18ClN3O/c1-11-2-3-12-13(10-11)18(14(16-12)4-5-15)17-6-8-19-9-7-17/h2-3,10H,4-9H2,1H3
InChIKeyBGLIDRNIZBZYJV-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.09
Rot. Bonds3

About 4-[2-(2-chloroethyl)-6-methylbenzimidazol-1-yl]morpholine

4-[2-(2-chloroethyl)-6-methylbenzimidazol-1-yl]morpholine (PubChem CID 83018016) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 4-[2-(2-chloroethyl)-6-methylbenzimidazol-1-yl]morpholine.

Molecular Properties

Compound Name4-[2-(2-chloroethyl)-6-methylbenzimidazol-1-yl]morpholine
PubChem CID83018016
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name4-[2-(2-chloroethyl)-6-methylbenzimidazol-1-yl]morpholine
SMILESCc1ccc2nc(CCCl)n(N3CCOCC3)c2c1
InChIInChI=1S/C14H18ClN3O/c1-11-2-3-12-13(10-11)18(14(16-12)4-5-15)17-6-8-19-9-7-17/h2-3,10H,4-9H2,1H3
InChIKeyBGLIDRNIZBZYJV-UHFFFAOYSA-N
XLogP2.09
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloroethyl)-6-methylbenzimidazol-1-yl]morpholine?
The IUPAC name of 4-[2-(2-chloroethyl)-6-methylbenzimidazol-1-yl]morpholine (CID 83018016) is 4-[2-(2-chloroethyl)-6-methylbenzimidazol-1-yl]morpholine.
What is the SMILES notation for 4-[2-(2-chloroethyl)-6-methylbenzimidazol-1-yl]morpholine?
The canonical SMILES for 4-[2-(2-chloroethyl)-6-methylbenzimidazol-1-yl]morpholine is Cc1ccc2nc(CCCl)n(N3CCOCC3)c2c1.
What is the InChIKey of 4-[2-(2-chloroethyl)-6-methylbenzimidazol-1-yl]morpholine?
The InChIKey is BGLIDRNIZBZYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-11-2-3-12-13(10-11)18(14(16-12)4-5-15)17-6-8-19-9-7-17/h2-3,10H,4-9H2,1H3.
What are the key properties of 4-[2-(2-chloroethyl)-6-methylbenzimidazol-1-yl]morpholine?
4-[2-(2-chloroethyl)-6-methylbenzimidazol-1-yl]morpholine has a molecular weight of 279.77 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloroethyl)-6-methylbenzimidazol-1-yl]morpholine is sourced from PubChem (CID 83018016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).