4-[3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propyl]morpholine

C18H24ClN3O2 — CID 46309574

IUPAC4-[3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propyl]morpholine
SMILESClc1ccc2c(c1)nc(C1CCCO1)n2CCCN1CCOCC1
InChIInChI=1S/C18H24ClN3O2/c19-14-4-5-16-15(13-14)20-18(17-3-1-10-24-17)22(16)7-2-6-21-8-11-23-12-9-21/h4-5,13,17H,1-3,6-12H2
InChIKeyPKLUMJSMMWHCFJ-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.26
Rot. Bonds5

About 4-[3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propyl]morpholine

4-[3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propyl]morpholine (PubChem CID 46309574) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 4-[3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propyl]morpholine
PubChem CID46309574
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name4-[3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propyl]morpholine
SMILESClc1ccc2c(c1)nc(C1CCCO1)n2CCCN1CCOCC1
InChIInChI=1S/C18H24ClN3O2/c19-14-4-5-16-15(13-14)20-18(17-3-1-10-24-17)22(16)7-2-6-21-8-11-23-12-9-21/h4-5,13,17H,1-3,6-12H2
InChIKeyPKLUMJSMMWHCFJ-UHFFFAOYSA-N
XLogP3.26
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propyl]morpholine (CID 46309574) is 4-[3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propyl]morpholine is Clc1ccc2c(c1)nc(C1CCCO1)n2CCCN1CCOCC1.
What is the InChIKey of 4-[3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propyl]morpholine?
The InChIKey is PKLUMJSMMWHCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c19-14-4-5-16-15(13-14)20-18(17-3-1-10-24-17)22(16)7-2-6-21-8-11-23-12-9-21/h4-5,13,17H,1-3,6-12H2.
What are the key properties of 4-[3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propyl]morpholine?
4-[3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propyl]morpholine has a molecular weight of 349.86 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propyl]morpholine is sourced from PubChem (CID 46309574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).