4-(1H-benzimidazol-2-ylmethyl)-2-(2-phenylethyl)morpholine

C20H23N3O — CID 19964406

IUPAC4-(1H-benzimidazol-2-ylmethyl)-2-(2-phenylethyl)morpholine
SMILESc1ccc(CCC2CN(Cc3nc4ccccc4[nH]3)CCO2)cc1
InChIInChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)
InChIKeyJVQBISWUXRKBAJ-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.40
Rot. Bonds5

About 4-(1H-benzimidazol-2-ylmethyl)-2-(2-phenylethyl)morpholine

4-(1H-benzimidazol-2-ylmethyl)-2-(2-phenylethyl)morpholine (PubChem CID 19964406) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylmethyl)-2-(2-phenylethyl)morpholine.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylmethyl)-2-(2-phenylethyl)morpholine
PubChem CID19964406
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name4-(1H-benzimidazol-2-ylmethyl)-2-(2-phenylethyl)morpholine
SMILESc1ccc(CCC2CN(Cc3nc4ccccc4[nH]3)CCO2)cc1
InChIInChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)
InChIKeyJVQBISWUXRKBAJ-UHFFFAOYSA-N
XLogP3.40
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylmethyl)-2-(2-phenylethyl)morpholine?
The IUPAC name of 4-(1H-benzimidazol-2-ylmethyl)-2-(2-phenylethyl)morpholine (CID 19964406) is 4-(1H-benzimidazol-2-ylmethyl)-2-(2-phenylethyl)morpholine.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylmethyl)-2-(2-phenylethyl)morpholine?
The canonical SMILES for 4-(1H-benzimidazol-2-ylmethyl)-2-(2-phenylethyl)morpholine is c1ccc(CCC2CN(Cc3nc4ccccc4[nH]3)CCO2)cc1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylmethyl)-2-(2-phenylethyl)morpholine?
The InChIKey is JVQBISWUXRKBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22).
What are the key properties of 4-(1H-benzimidazol-2-ylmethyl)-2-(2-phenylethyl)morpholine?
4-(1H-benzimidazol-2-ylmethyl)-2-(2-phenylethyl)morpholine has a molecular weight of 321.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylmethyl)-2-(2-phenylethyl)morpholine is sourced from PubChem (CID 19964406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).