4-[2-(3-benzyl-2H-benzimidazol-1-yl)ethyl]morpholine

C20H25N3O — CID 177444989

IUPAC4-[2-(3-benzyl-2H-benzimidazol-1-yl)ethyl]morpholine
SMILESc1ccc(CN2CN(CCN3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C20H25N3O/c1-2-6-18(7-3-1)16-23-17-22(19-8-4-5-9-20(19)23)11-10-21-12-14-24-15-13-21/h1-9H,10-17H2
InChIKeyOUDAVSMBDVVCBD-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.80
Rot. Bonds5

About 4-[2-(3-benzyl-2H-benzimidazol-1-yl)ethyl]morpholine

4-[2-(3-benzyl-2H-benzimidazol-1-yl)ethyl]morpholine (PubChem CID 177444989) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-[2-(3-benzyl-2H-benzimidazol-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(3-benzyl-2H-benzimidazol-1-yl)ethyl]morpholine
PubChem CID177444989
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name4-[2-(3-benzyl-2H-benzimidazol-1-yl)ethyl]morpholine
SMILESc1ccc(CN2CN(CCN3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C20H25N3O/c1-2-6-18(7-3-1)16-23-17-22(19-8-4-5-9-20(19)23)11-10-21-12-14-24-15-13-21/h1-9H,10-17H2
InChIKeyOUDAVSMBDVVCBD-UHFFFAOYSA-N
XLogP2.80
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[3-[(2-methylphenyl)methyl]-2H-benzimidazol-1-yl]ethyl]morpholine
CID 177472907
7,16-bis[12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 10418954
methane;4-(2-phenylethyl)morpholine
CID 143698819
4-[2-(1-benzyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)ethyl]morpholine
CID 8003412
(6R)-1-benzyl-4-(2-morpholin-4-ylethyl)-1,4-diazepan-6-ol
CID 97435614
7-benzyl-16-bromo-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 177071319
4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine
CID 171913248
dilithium;4-benzylmorpholine;sulfite
CID 160525639
(3R)-1-benzyl-3-methyl-3-(3-morpholin-4-ylpropoxy)indol-2-one
CID 92858081
(3aS,6aR)-1-benzyl-4-(2-morpholin-4-ylethyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 124788674
2,2-dimethyl-1-[4-(2-morpholin-4-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one
CID 110361546
4-[3-(1-benzylindol-6-yl)propyl]morpholine
CID 170870729

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-benzyl-2H-benzimidazol-1-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(3-benzyl-2H-benzimidazol-1-yl)ethyl]morpholine (CID 177444989) is 4-[2-(3-benzyl-2H-benzimidazol-1-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(3-benzyl-2H-benzimidazol-1-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(3-benzyl-2H-benzimidazol-1-yl)ethyl]morpholine is c1ccc(CN2CN(CCN3CCOCC3)c3ccccc32)cc1.
What is the InChIKey of 4-[2-(3-benzyl-2H-benzimidazol-1-yl)ethyl]morpholine?
The InChIKey is OUDAVSMBDVVCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-6-18(7-3-1)16-23-17-22(19-8-4-5-9-20(19)23)11-10-21-12-14-24-15-13-21/h1-9H,10-17H2.
What are the key properties of 4-[2-(3-benzyl-2H-benzimidazol-1-yl)ethyl]morpholine?
4-[2-(3-benzyl-2H-benzimidazol-1-yl)ethyl]morpholine has a molecular weight of 323.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-benzyl-2H-benzimidazol-1-yl)ethyl]morpholine is sourced from PubChem (CID 177444989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).