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

C17H17N3O — CID 71656319

IUPAC2-[4-(1H-benzimidazol-2-yl)phenyl]morpholine
SMILESc1ccc2[nH]c(-c3ccc(C4CNCCO4)cc3)nc2c1
InChIInChI=1S/C17H17N3O/c1-2-4-15-14(3-1)19-17(20-15)13-7-5-12(6-8-13)16-11-18-9-10-21-16/h1-8,16,18H,9-11H2,(H,19,20)
InChIKeyHUSAHSKGFYBPMJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.89
Rot. Bonds2

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

2-[4-(1H-benzimidazol-2-yl)phenyl]morpholine (PubChem CID 71656319) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-yl)phenyl]morpholine.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-yl)phenyl]morpholine
PubChem CID71656319
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-[4-(1H-benzimidazol-2-yl)phenyl]morpholine
SMILESc1ccc2[nH]c(-c3ccc(C4CNCCO4)cc3)nc2c1
InChIInChI=1S/C17H17N3O/c1-2-4-15-14(3-1)19-17(20-15)13-7-5-12(6-8-13)16-11-18-9-10-21-16/h1-8,16,18H,9-11H2,(H,19,20)
InChIKeyHUSAHSKGFYBPMJ-UHFFFAOYSA-N
XLogP2.89
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-yl)phenyl]morpholine?
The IUPAC name of 2-[4-(1H-benzimidazol-2-yl)phenyl]morpholine (CID 71656319) is 2-[4-(1H-benzimidazol-2-yl)phenyl]morpholine.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-yl)phenyl]morpholine?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-yl)phenyl]morpholine is c1ccc2[nH]c(-c3ccc(C4CNCCO4)cc3)nc2c1.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-yl)phenyl]morpholine?
The InChIKey is HUSAHSKGFYBPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-4-15-14(3-1)19-17(20-15)13-7-5-12(6-8-13)16-11-18-9-10-21-16/h1-8,16,18H,9-11H2,(H,19,20).
What are the key properties of 2-[4-(1H-benzimidazol-2-yl)phenyl]morpholine?
2-[4-(1H-benzimidazol-2-yl)phenyl]morpholine has a molecular weight of 279.34 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazol-2-yl)phenyl]morpholine is sourced from PubChem (CID 71656319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).