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

C19H21N3O — CID 22368455

IUPAC4-[2-(2-phenyl-1H-benzimidazol-4-yl)ethyl]morpholine
SMILESc1ccc(-c2nc3c(CCN4CCOCC4)cccc3[nH]2)cc1
InChIInChI=1S/C19H21N3O/c1-2-5-16(6-3-1)19-20-17-8-4-7-15(18(17)21-19)9-10-22-11-13-23-14-12-22/h1-8H,9-14H2,(H,20,21)
InChIKeyQOGJSXJSKMBLSS-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.10
Rot. Bonds4

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

4-[2-(2-phenyl-1H-benzimidazol-4-yl)ethyl]morpholine (PubChem CID 22368455) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-[2-(2-phenyl-1H-benzimidazol-4-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(2-phenyl-1H-benzimidazol-4-yl)ethyl]morpholine
PubChem CID22368455
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name4-[2-(2-phenyl-1H-benzimidazol-4-yl)ethyl]morpholine
SMILESc1ccc(-c2nc3c(CCN4CCOCC4)cccc3[nH]2)cc1
InChIInChI=1S/C19H21N3O/c1-2-5-16(6-3-1)19-20-17-8-4-7-15(18(17)21-19)9-10-22-11-13-23-14-12-22/h1-8H,9-14H2,(H,20,21)
InChIKeyQOGJSXJSKMBLSS-UHFFFAOYSA-N
XLogP3.10
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[4-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine
CID 44526493
4-benzyl-2-phenyl-1H-benzimidazole
CID 67700933
4-[2-[2-(chloromethyl)phenyl]ethyl]morpholine
CID 174531973
4-[2-(2,5,9,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,11,13,15-octaen-7-yl)ethyl]morpholine
CID 101110456
methane;4-(2-phenylethyl)morpholine
CID 143698819
2-morpholin-4-ylethyl-[2-(2-phenyl-1H-indol-3-yl)ethyl]azanium
CID 59921053
4-[2-(2H-triazol-4-yl)ethyl]morpholine
CID 54167756
2-(trifluoromethyl)-4-[4-[2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]ethyl]piperazin-1-yl]-1H-benzimidazole
CID 44561107
4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 110653646
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
2-phenyl-1H-benzimidazole-4-carbonitrile
CID 83412719
3-(morpholin-4-ylmethyl)-2-phenylphenol
CID 174703576

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-phenyl-1H-benzimidazol-4-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(2-phenyl-1H-benzimidazol-4-yl)ethyl]morpholine (CID 22368455) is 4-[2-(2-phenyl-1H-benzimidazol-4-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(2-phenyl-1H-benzimidazol-4-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(2-phenyl-1H-benzimidazol-4-yl)ethyl]morpholine is c1ccc(-c2nc3c(CCN4CCOCC4)cccc3[nH]2)cc1.
What is the InChIKey of 4-[2-(2-phenyl-1H-benzimidazol-4-yl)ethyl]morpholine?
The InChIKey is QOGJSXJSKMBLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-2-5-16(6-3-1)19-20-17-8-4-7-15(18(17)21-19)9-10-22-11-13-23-14-12-22/h1-8H,9-14H2,(H,20,21).
What are the key properties of 4-[2-(2-phenyl-1H-benzimidazol-4-yl)ethyl]morpholine?
4-[2-(2-phenyl-1H-benzimidazol-4-yl)ethyl]morpholine has a molecular weight of 307.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-phenyl-1H-benzimidazol-4-yl)ethyl]morpholine is sourced from PubChem (CID 22368455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).