4-(1-prop-2-enylbenzimidazol-2-yl)morpholine

C14H17N3O — CID 828615

IUPAC4-(1-prop-2-enylbenzimidazol-2-yl)morpholine
SMILESC=CCn1c(N2CCOCC2)nc2ccccc21
InChIInChI=1S/C14H17N3O/c1-2-7-17-13-6-4-3-5-12(13)15-14(17)16-8-10-18-11-9-16/h2-6H,1,7-11H2
InChIKeyFVNDLYXRMDRNKQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.06
Rot. Bonds3

About 4-(1-prop-2-enylbenzimidazol-2-yl)morpholine

4-(1-prop-2-enylbenzimidazol-2-yl)morpholine (PubChem CID 828615) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(1-prop-2-enylbenzimidazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(1-prop-2-enylbenzimidazol-2-yl)morpholine
PubChem CID828615
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-(1-prop-2-enylbenzimidazol-2-yl)morpholine
SMILESC=CCn1c(N2CCOCC2)nc2ccccc21
InChIInChI=1S/C14H17N3O/c1-2-7-17-13-6-4-3-5-12(13)15-14(17)16-8-10-18-11-9-16/h2-6H,1,7-11H2
InChIKeyFVNDLYXRMDRNKQ-UHFFFAOYSA-N
XLogP2.06
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-prop-2-enylbenzimidazol-2-yl)morpholine?
The IUPAC name of 4-(1-prop-2-enylbenzimidazol-2-yl)morpholine (CID 828615) is 4-(1-prop-2-enylbenzimidazol-2-yl)morpholine.
What is the SMILES notation for 4-(1-prop-2-enylbenzimidazol-2-yl)morpholine?
The canonical SMILES for 4-(1-prop-2-enylbenzimidazol-2-yl)morpholine is C=CCn1c(N2CCOCC2)nc2ccccc21.
What is the InChIKey of 4-(1-prop-2-enylbenzimidazol-2-yl)morpholine?
The InChIKey is FVNDLYXRMDRNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-7-17-13-6-4-3-5-12(13)15-14(17)16-8-10-18-11-9-16/h2-6H,1,7-11H2.
What are the key properties of 4-(1-prop-2-enylbenzimidazol-2-yl)morpholine?
4-(1-prop-2-enylbenzimidazol-2-yl)morpholine has a molecular weight of 243.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-prop-2-enylbenzimidazol-2-yl)morpholine is sourced from PubChem (CID 828615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).