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

C16H21N3O2 — CID 115569311

IUPAC1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone
SMILESCCCc1nc2ccccc2n1CC(=O)N1CCOCC1
InChIInChI=1S/C16H21N3O2/c1-2-5-15-17-13-6-3-4-7-14(13)19(15)12-16(20)18-8-10-21-11-9-18/h3-4,6-7H,2,5,8-12H2,1H3
InChIKeyCXSFZVQLARIENI-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.85
Rot. Bonds4

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

1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone (PubChem CID 115569311) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone
PubChem CID115569311
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone
SMILESCCCc1nc2ccccc2n1CC(=O)N1CCOCC1
InChIInChI=1S/C16H21N3O2/c1-2-5-15-17-13-6-3-4-7-14(13)19(15)12-16(20)18-8-10-21-11-9-18/h3-4,6-7H,2,5,8-12H2,1H3
InChIKeyCXSFZVQLARIENI-UHFFFAOYSA-N
XLogP1.85
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone?
The IUPAC name of 1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone (CID 115569311) is 1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone is CCCc1nc2ccccc2n1CC(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone?
The InChIKey is CXSFZVQLARIENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-5-15-17-13-6-3-4-7-14(13)19(15)12-16(20)18-8-10-21-11-9-18/h3-4,6-7H,2,5,8-12H2,1H3.
What are the key properties of 1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone?
1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone has a molecular weight of 287.36 g/mol, XLogP of 1.85, 4 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-propylbenzimidazol-1-yl)ethanone is sourced from PubChem (CID 115569311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).