2-(5,6-difluorobenzimidazol-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide

C18H17F2N3O2 — CID 31807275

IUPAC2-(5,6-difluorobenzimidazol-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCc1cccc(OCCNC(=O)Cn2cnc3cc(F)c(F)cc32)c1
InChIInChI=1S/C18H17F2N3O2/c1-12-3-2-4-13(7-12)25-6-5-21-18(24)10-23-11-22-16-8-14(19)15(20)9-17(16)23/h2-4,7-9,11H,5-6,10H2,1H3,(H,21,24)
InChIKeyJMJGJTYUOWAGTN-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.82
Rot. Bonds6

About 2-(5,6-difluorobenzimidazol-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide

2-(5,6-difluorobenzimidazol-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide (PubChem CID 31807275) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-(5,6-difluorobenzimidazol-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(5,6-difluorobenzimidazol-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide
PubChem CID31807275
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name2-(5,6-difluorobenzimidazol-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCc1cccc(OCCNC(=O)Cn2cnc3cc(F)c(F)cc32)c1
InChIInChI=1S/C18H17F2N3O2/c1-12-3-2-4-13(7-12)25-6-5-21-18(24)10-23-11-22-16-8-14(19)15(20)9-17(16)23/h2-4,7-9,11H,5-6,10H2,1H3,(H,21,24)
InChIKeyJMJGJTYUOWAGTN-UHFFFAOYSA-N
XLogP2.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methyl-2-oxo-1-pyridinyl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 71968867
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 128968092
2-(4-chloro-2-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 100547759
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-(2-methoxyethyl)-2-[2-(3-methylphenoxy)ethylamino]acetamide
CID 54940682
2-fluoro-6-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 104916567
3-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 9204419
N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide
CID 54940324
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 17028500
2-(3-fluorophenyl)-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]acetamide
CID 46489994
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate
CID 33333737

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluorobenzimidazol-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(5,6-difluorobenzimidazol-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide (CID 31807275) is 2-(5,6-difluorobenzimidazol-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(5,6-difluorobenzimidazol-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(5,6-difluorobenzimidazol-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide is Cc1cccc(OCCNC(=O)Cn2cnc3cc(F)c(F)cc32)c1.
What is the InChIKey of 2-(5,6-difluorobenzimidazol-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The InChIKey is JMJGJTYUOWAGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c1-12-3-2-4-13(7-12)25-6-5-21-18(24)10-23-11-22-16-8-14(19)15(20)9-17(16)23/h2-4,7-9,11H,5-6,10H2,1H3,(H,21,24).
What are the key properties of 2-(5,6-difluorobenzimidazol-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide?
2-(5,6-difluorobenzimidazol-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide has a molecular weight of 345.35 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-difluorobenzimidazol-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 31807275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).