N,N-dicyclohexyl-2-[2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]benzimidazol-1-yl]acetamide

C29H33F4N3O2 — CID 175290028

IUPACN,N-dicyclohexyl-2-[2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2ccccc2OC(F)(F)C(F)F)nc2ccccc21)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C29H33F4N3O2/c30-28(31)29(32,33)38-25-18-10-7-15-22(25)27-34-23-16-8-9-17-24(23)35(27)19-26(37)36(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h7-10,15-18,20-21,28H,1-6,11-14,19H2
InChIKeyTVDZNEYXOBYBKG-UHFFFAOYSA-N
MW531.59 g/mol
LogP7.43
Rot. Bonds8

About N,N-dicyclohexyl-2-[2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]benzimidazol-1-yl]acetamide

N,N-dicyclohexyl-2-[2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]benzimidazol-1-yl]acetamide (PubChem CID 175290028) has the molecular formula C29H33F4N3O2 and a molecular weight of 531.59 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-[2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-[2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]benzimidazol-1-yl]acetamide
PubChem CID175290028
Molecular FormulaC29H33F4N3O2
Molecular Weight531.59 g/mol
Exact Mass531.25
IUPAC NameN,N-dicyclohexyl-2-[2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2ccccc2OC(F)(F)C(F)F)nc2ccccc21)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C29H33F4N3O2/c30-28(31)29(32,33)38-25-18-10-7-15-22(25)27-34-23-16-8-9-17-24(23)35(27)19-26(37)36(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h7-10,15-18,20-21,28H,1-6,11-14,19H2
InChIKeyTVDZNEYXOBYBKG-UHFFFAOYSA-N
XLogP7.43
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.59
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dicyclohexyl-2-[2-[2-(difluoromethoxy)phenyl]benzimidazol-1-yl]acetamide
CID 175290038
N,N-dicyclohexyl-2-[2-(2,3-dimethoxyphenyl)benzimidazol-1-yl]acetamide
CID 175290073
N,N-dicyclohexyl-2-[2-(3-fluorophenyl)benzimidazol-1-yl]acetamide
CID 175290021
N,N-dicyclohexyl-2-(2-naphthalen-2-ylbenzimidazol-1-yl)acetamide
CID 174570409
N,N-dicyclohexyl-2-[2-(3-fluoro-4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 175290003
N,N-dicyclohexyl-2-[2-(3-methylfuran-2-yl)benzimidazol-1-yl]acetamide
CID 175289954
N,N-dicyclohexyl-2-[2-(6-methyl-3-pyridinyl)benzimidazol-1-yl]acetamide
CID 175290062
N,N-dicyclohexyl-2-[2-(2,3-difluorophenyl)-6-fluorobenzimidazol-1-yl]acetamide
CID 175290124
N,N-dicyclohexyl-2-[2-(5-methyl-1H-indol-2-yl)benzimidazol-1-yl]acetamide
CID 175290138
N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997064
N-cyclohexyl-N-ethyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 112781129
N-cyclohexyl-N-methyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17000965

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-[2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N,N-dicyclohexyl-2-[2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]benzimidazol-1-yl]acetamide (CID 175290028) is N,N-dicyclohexyl-2-[2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-[2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-[2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]benzimidazol-1-yl]acetamide is O=C(Cn1c(-c2ccccc2OC(F)(F)C(F)F)nc2ccccc21)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-2-[2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]benzimidazol-1-yl]acetamide?
The InChIKey is TVDZNEYXOBYBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F4N3O2/c30-28(31)29(32,33)38-25-18-10-7-15-22(25)27-34-23-16-8-9-17-24(23)35(27)19-26(37)36(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h7-10,15-18,20-21,28H,1-6,11-14,19H2.
What are the key properties of N,N-dicyclohexyl-2-[2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]benzimidazol-1-yl]acetamide?
N,N-dicyclohexyl-2-[2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]benzimidazol-1-yl]acetamide has a molecular weight of 531.59 g/mol, XLogP of 7.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-[2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 175290028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).