2-(benzimidazol-1-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one

C20H21N3O2 — CID 43070696

IUPAC2-(benzimidazol-1-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
SMILESCC(C(=O)N1CCOC(c2ccccc2)C1)n1cnc2ccccc21
InChIInChI=1S/C20H21N3O2/c1-15(23-14-21-17-9-5-6-10-18(17)23)20(24)22-11-12-25-19(13-22)16-7-3-2-4-8-16/h2-10,14-15,19H,11-13H2,1H3
InChIKeyCCVUTAFZFADETN-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.20
Rot. Bonds3

About 2-(benzimidazol-1-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one

2-(benzimidazol-1-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one (PubChem CID 43070696) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
PubChem CID43070696
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-(benzimidazol-1-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
SMILESCC(C(=O)N1CCOC(c2ccccc2)C1)n1cnc2ccccc21
InChIInChI=1S/C20H21N3O2/c1-15(23-14-21-17-9-5-6-10-18(17)23)20(24)22-11-12-25-19(13-22)16-7-3-2-4-8-16/h2-10,14-15,19H,11-13H2,1H3
InChIKeyCCVUTAFZFADETN-UHFFFAOYSA-N
XLogP3.20
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzimidazol-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 46430300
2-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62918614
(2S)-1-[(2S)-2-phenylmorpholin-4-yl]-2-(tetrazol-1-yl)propan-1-one
CID 125432054
2-(benzimidazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43502685
(2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one
CID 129399575
(2S)-1-[(2R)-2-phenylmorpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one
CID 124588141
(2R)-2-(benzimidazol-1-yl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-1-one
CID 95585308
2-bromo-1-(2-phenylmorpholin-4-yl)butan-1-one
CID 62855050
(2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]propan-1-one
CID 95313077
tert-butyl 4-[2-(benzimidazol-1-yl)propanoyl]piperazine-1-carboxylate
CID 42959413
2-amino-2-phenyl-1-(2-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119278824
1-[2-(benzimidazol-1-yl)propanoyl]-1,4-diazepan-5-one
CID 62046817

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one?
The IUPAC name of 2-(benzimidazol-1-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one (CID 43070696) is 2-(benzimidazol-1-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one is CC(C(=O)N1CCOC(c2ccccc2)C1)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one?
The InChIKey is CCVUTAFZFADETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15(23-14-21-17-9-5-6-10-18(17)23)20(24)22-11-12-25-19(13-22)16-7-3-2-4-8-16/h2-10,14-15,19H,11-13H2,1H3.
What are the key properties of 2-(benzimidazol-1-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one?
2-(benzimidazol-1-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one has a molecular weight of 335.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 43070696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).