1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone

C19H19N3O2 — CID 17000579

IUPAC1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone
SMILESO=C(Cn1c(-c2ccccc2)nc2ccccc21)N1CCOCC1
InChIInChI=1S/C19H19N3O2/c23-18(21-10-12-24-13-11-21)14-22-17-9-5-4-8-16(17)20-19(22)15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyXWKREDFCWMTSII-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.56
Rot. Bonds3

About 1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone

1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone (PubChem CID 17000579) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone
PubChem CID17000579
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone
SMILESO=C(Cn1c(-c2ccccc2)nc2ccccc21)N1CCOCC1
InChIInChI=1S/C19H19N3O2/c23-18(21-10-12-24-13-11-21)14-22-17-9-5-4-8-16(17)20-19(22)15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyXWKREDFCWMTSII-UHFFFAOYSA-N
XLogP2.56
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-chlorophenyl)benzimidazol-1-yl]-1-morpholin-4-ylethanone
CID 17002090
1-(4-methylpiperidin-1-yl)-2-(2-phenylbenzimidazol-1-yl)ethanone
CID 17000581
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
2-(2-methylsulfanylbenzimidazol-1-yl)-1-morpholin-4-ylethanone
CID 601048
1-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone
CID 16996586
1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone
CID 115569311
2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 17001389
1-(2-morpholin-4-yl-2-oxoethyl)quinoxalin-2-one
CID 8892399
2-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-1-morpholin-4-ylethanone
CID 16999857
2-(3,5-diphenyl-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone
CID 654746
1-morpholin-4-yl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]ethanone
CID 16999437
N-[2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979049

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone?
The IUPAC name of 1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone (CID 17000579) is 1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone is O=C(Cn1c(-c2ccccc2)nc2ccccc21)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone?
The InChIKey is XWKREDFCWMTSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-18(21-10-12-24-13-11-21)14-22-17-9-5-4-8-16(17)20-19(22)15-6-2-1-3-7-15/h1-9H,10-14H2.
What are the key properties of 1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone?
1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone has a molecular weight of 321.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone is sourced from PubChem (CID 17000579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).