1-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone

C16H21N3O2 — CID 16996586

IUPAC1-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone
SMILESCC(C)c1nc2ccccc2n1CC(=O)N1CCOCC1
InChIInChI=1S/C16H21N3O2/c1-12(2)16-17-13-5-3-4-6-14(13)19(16)11-15(20)18-7-9-21-10-8-18/h3-6,12H,7-11H2,1-2H3
InChIKeyPIVIPVVOIHOUSH-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.02
Rot. Bonds3

About 1-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone

1-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone (PubChem CID 16996586) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone
PubChem CID16996586
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone
SMILESCC(C)c1nc2ccccc2n1CC(=O)N1CCOCC1
InChIInChI=1S/C16H21N3O2/c1-12(2)16-17-13-5-3-4-6-14(13)19(16)11-15(20)18-7-9-21-10-8-18/h3-6,12H,7-11H2,1-2H3
InChIKeyPIVIPVVOIHOUSH-UHFFFAOYSA-N
XLogP2.02
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970083
2-(2-methylsulfanylbenzimidazol-1-yl)-1-morpholin-4-ylethanone
CID 601048
1-[(3aS,5S,6S,7aR)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone
CID 118790261
1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone
CID 115569311
1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone
CID 17000579
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
N-[[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972336
N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028648
2-[2-(3-chlorophenyl)benzimidazol-1-yl]-1-morpholin-4-ylethanone
CID 17002090
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967444
2-[2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-ylethanone
CID 3224778

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone?
The IUPAC name of 1-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone (CID 16996586) is 1-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone is CC(C)c1nc2ccccc2n1CC(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone?
The InChIKey is PIVIPVVOIHOUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12(2)16-17-13-5-3-4-6-14(13)19(16)11-15(20)18-7-9-21-10-8-18/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 1-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone?
1-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone has a molecular weight of 287.36 g/mol, XLogP of 2.02, 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-propan-2-ylbenzimidazol-1-yl)ethanone is sourced from PubChem (CID 16996586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).