4-[1-(2-phenylethyl)benzimidazol-5-yl]morpholine

C19H21N3O — CID 175767613

IUPAC4-[1-(2-phenylethyl)benzimidazol-5-yl]morpholine
SMILESc1ccc(CCn2cnc3cc(N4CCOCC4)ccc32)cc1
InChIInChI=1S/C19H21N3O/c1-2-4-16(5-3-1)8-9-22-15-20-18-14-17(6-7-19(18)22)21-10-12-23-13-11-21/h1-7,14-15H,8-13H2
InChIKeyJVXCLDQWOOOVDO-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.12
Rot. Bonds4

About 4-[1-(2-phenylethyl)benzimidazol-5-yl]morpholine

4-[1-(2-phenylethyl)benzimidazol-5-yl]morpholine (PubChem CID 175767613) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-[1-(2-phenylethyl)benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[1-(2-phenylethyl)benzimidazol-5-yl]morpholine
PubChem CID175767613
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name4-[1-(2-phenylethyl)benzimidazol-5-yl]morpholine
SMILESc1ccc(CCn2cnc3cc(N4CCOCC4)ccc32)cc1
InChIInChI=1S/C19H21N3O/c1-2-4-16(5-3-1)8-9-22-15-20-18-14-17(6-7-19(18)22)21-10-12-23-13-11-21/h1-7,14-15H,8-13H2
InChIKeyJVXCLDQWOOOVDO-UHFFFAOYSA-N
XLogP3.12
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-phenylethyl)benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[1-(2-phenylethyl)benzimidazol-5-yl]morpholine (CID 175767613) is 4-[1-(2-phenylethyl)benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[1-(2-phenylethyl)benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[1-(2-phenylethyl)benzimidazol-5-yl]morpholine is c1ccc(CCn2cnc3cc(N4CCOCC4)ccc32)cc1.
What is the InChIKey of 4-[1-(2-phenylethyl)benzimidazol-5-yl]morpholine?
The InChIKey is JVXCLDQWOOOVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-2-4-16(5-3-1)8-9-22-15-20-18-14-17(6-7-19(18)22)21-10-12-23-13-11-21/h1-7,14-15H,8-13H2.
What are the key properties of 4-[1-(2-phenylethyl)benzimidazol-5-yl]morpholine?
4-[1-(2-phenylethyl)benzimidazol-5-yl]morpholine has a molecular weight of 307.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-phenylethyl)benzimidazol-5-yl]morpholine is sourced from PubChem (CID 175767613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).