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

C21H27N3O — CID 177472907

IUPAC4-[2-[3-[(2-methylphenyl)methyl]-2H-benzimidazol-1-yl]ethyl]morpholine
SMILESCc1ccccc1CN1CN(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C21H27N3O/c1-18-6-2-3-7-19(18)16-24-17-23(20-8-4-5-9-21(20)24)11-10-22-12-14-25-15-13-22/h2-9H,10-17H2,1H3
InChIKeyCVNFIBCGAIHHNC-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.11
Rot. Bonds5

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

4-[2-[3-[(2-methylphenyl)methyl]-2H-benzimidazol-1-yl]ethyl]morpholine (PubChem CID 177472907) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-[2-[3-[(2-methylphenyl)methyl]-2H-benzimidazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-[(2-methylphenyl)methyl]-2H-benzimidazol-1-yl]ethyl]morpholine
PubChem CID177472907
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name4-[2-[3-[(2-methylphenyl)methyl]-2H-benzimidazol-1-yl]ethyl]morpholine
SMILESCc1ccccc1CN1CN(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C21H27N3O/c1-18-6-2-3-7-19(18)16-24-17-23(20-8-4-5-9-21(20)24)11-10-22-12-14-25-15-13-22/h2-9H,10-17H2,1H3
InChIKeyCVNFIBCGAIHHNC-UHFFFAOYSA-N
XLogP3.11
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-benzyl-2H-benzimidazol-1-yl)ethyl]morpholine
CID 177444989
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
CID 139239818
CID 139239818
N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968793
N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6456981
2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 20851363
2-(2-methylphenyl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073706
1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108897158
2-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol
CID 111753096
N-methyl-2-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110753270
1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]ethanone
CID 55494144
N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016696

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[(2-methylphenyl)methyl]-2H-benzimidazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-[(2-methylphenyl)methyl]-2H-benzimidazol-1-yl]ethyl]morpholine (CID 177472907) is 4-[2-[3-[(2-methylphenyl)methyl]-2H-benzimidazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-[(2-methylphenyl)methyl]-2H-benzimidazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-[(2-methylphenyl)methyl]-2H-benzimidazol-1-yl]ethyl]morpholine is Cc1ccccc1CN1CN(CCN2CCOCC2)c2ccccc21.
What is the InChIKey of 4-[2-[3-[(2-methylphenyl)methyl]-2H-benzimidazol-1-yl]ethyl]morpholine?
The InChIKey is CVNFIBCGAIHHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-18-6-2-3-7-19(18)16-24-17-23(20-8-4-5-9-21(20)24)11-10-22-12-14-25-15-13-22/h2-9H,10-17H2,1H3.
What are the key properties of 4-[2-[3-[(2-methylphenyl)methyl]-2H-benzimidazol-1-yl]ethyl]morpholine?
4-[2-[3-[(2-methylphenyl)methyl]-2H-benzimidazol-1-yl]ethyl]morpholine has a molecular weight of 337.47 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[(2-methylphenyl)methyl]-2H-benzimidazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 177472907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).