4-(benzimidazol-1-ylmethyl)morpholine

C12H15N3O — CID 681888

IUPAC4-(benzimidazol-1-ylmethyl)morpholine
SMILESc1ccc2c(c1)ncn2CN1CCOCC1
InChIInChI=1S/C12H15N3O/c1-2-4-12-11(3-1)13-9-15(12)10-14-5-7-16-8-6-14/h1-4,9H,5-8,10H2
InChIKeyPBSHUGRPQUPJAQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.33
Rot. Bonds2

About 4-(benzimidazol-1-ylmethyl)morpholine

4-(benzimidazol-1-ylmethyl)morpholine (PubChem CID 681888) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(benzimidazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name4-(benzimidazol-1-ylmethyl)morpholine
PubChem CID681888
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-(benzimidazol-1-ylmethyl)morpholine
SMILESc1ccc2c(c1)ncn2CN1CCOCC1
InChIInChI=1S/C12H15N3O/c1-2-4-12-11(3-1)13-9-15(12)10-14-5-7-16-8-6-14/h1-4,9H,5-8,10H2
InChIKeyPBSHUGRPQUPJAQ-UHFFFAOYSA-N
XLogP1.33
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-ylmethyl)morpholine?
The IUPAC name of 4-(benzimidazol-1-ylmethyl)morpholine (CID 681888) is 4-(benzimidazol-1-ylmethyl)morpholine.
What is the SMILES notation for 4-(benzimidazol-1-ylmethyl)morpholine?
The canonical SMILES for 4-(benzimidazol-1-ylmethyl)morpholine is c1ccc2c(c1)ncn2CN1CCOCC1.
What is the InChIKey of 4-(benzimidazol-1-ylmethyl)morpholine?
The InChIKey is PBSHUGRPQUPJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-4-12-11(3-1)13-9-15(12)10-14-5-7-16-8-6-14/h1-4,9H,5-8,10H2.
What are the key properties of 4-(benzimidazol-1-ylmethyl)morpholine?
4-(benzimidazol-1-ylmethyl)morpholine has a molecular weight of 217.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-ylmethyl)morpholine is sourced from PubChem (CID 681888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).