4-[4-(1H-benzimidazol-2-yl)phenyl]morpholine

C17H17N3O — CID 17325485

IUPAC4-[4-(1H-benzimidazol-2-yl)phenyl]morpholine
SMILESc1ccc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc2c1
InChIInChI=1S/C17H17N3O/c1-2-4-16-15(3-1)18-17(19-16)13-5-7-14(8-6-13)20-9-11-21-12-10-20/h1-8H,9-12H2,(H,18,19)
InChIKeyZYMFSYSBAIPJTG-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.07
Rot. Bonds2

About 4-[4-(1H-benzimidazol-2-yl)phenyl]morpholine

4-[4-(1H-benzimidazol-2-yl)phenyl]morpholine (PubChem CID 17325485) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[4-(1H-benzimidazol-2-yl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-(1H-benzimidazol-2-yl)phenyl]morpholine
PubChem CID17325485
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-[4-(1H-benzimidazol-2-yl)phenyl]morpholine
SMILESc1ccc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc2c1
InChIInChI=1S/C17H17N3O/c1-2-4-16-15(3-1)18-17(19-16)13-5-7-14(8-6-13)20-9-11-21-12-10-20/h1-8H,9-12H2,(H,18,19)
InChIKeyZYMFSYSBAIPJTG-UHFFFAOYSA-N
XLogP3.07
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-benzimidazol-2-yl)phenyl]morpholine?
The IUPAC name of 4-[4-(1H-benzimidazol-2-yl)phenyl]morpholine (CID 17325485) is 4-[4-(1H-benzimidazol-2-yl)phenyl]morpholine.
What is the SMILES notation for 4-[4-(1H-benzimidazol-2-yl)phenyl]morpholine?
The canonical SMILES for 4-[4-(1H-benzimidazol-2-yl)phenyl]morpholine is c1ccc2[nH]c(-c3ccc(N4CCOCC4)cc3)nc2c1.
What is the InChIKey of 4-[4-(1H-benzimidazol-2-yl)phenyl]morpholine?
The InChIKey is ZYMFSYSBAIPJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-4-16-15(3-1)18-17(19-16)13-5-7-14(8-6-13)20-9-11-21-12-10-20/h1-8H,9-12H2,(H,18,19).
What are the key properties of 4-[4-(1H-benzimidazol-2-yl)phenyl]morpholine?
4-[4-(1H-benzimidazol-2-yl)phenyl]morpholine has a molecular weight of 279.34 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-benzimidazol-2-yl)phenyl]morpholine is sourced from PubChem (CID 17325485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).