2,2-dicyclohexyl-2-[2-(2,3,4-trifluorophenyl)benzimidazol-1-yl]acetamide

C27H30F3N3O — CID 175290131

IUPAC2,2-dicyclohexyl-2-[2-(2,3,4-trifluorophenyl)benzimidazol-1-yl]acetamide
SMILESNC(=O)C(C1CCCCC1)(C1CCCCC1)n1c(-c2ccc(F)c(F)c2F)nc2ccccc21
InChIInChI=1S/C27H30F3N3O/c28-20-16-15-19(23(29)24(20)30)25-32-21-13-7-8-14-22(21)33(25)27(26(31)34,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h7-8,13-18H,1-6,9-12H2,(H2,31,34)
InChIKeyYVDUYJHIFTZFSJ-UHFFFAOYSA-N
MW469.55 g/mol
LogP6.46
Rot. Bonds5

About 2,2-dicyclohexyl-2-[2-(2,3,4-trifluorophenyl)benzimidazol-1-yl]acetamide

2,2-dicyclohexyl-2-[2-(2,3,4-trifluorophenyl)benzimidazol-1-yl]acetamide (PubChem CID 175290131) has the molecular formula C27H30F3N3O and a molecular weight of 469.55 g/mol. Its IUPAC name is 2,2-dicyclohexyl-2-[2-(2,3,4-trifluorophenyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound Name2,2-dicyclohexyl-2-[2-(2,3,4-trifluorophenyl)benzimidazol-1-yl]acetamide
PubChem CID175290131
Molecular FormulaC27H30F3N3O
Molecular Weight469.55 g/mol
Exact Mass469.23
IUPAC Name2,2-dicyclohexyl-2-[2-(2,3,4-trifluorophenyl)benzimidazol-1-yl]acetamide
SMILESNC(=O)C(C1CCCCC1)(C1CCCCC1)n1c(-c2ccc(F)c(F)c2F)nc2ccccc21
InChIInChI=1S/C27H30F3N3O/c28-20-16-15-19(23(29)24(20)30)25-32-21-13-7-8-14-22(21)33(25)27(26(31)34,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h7-8,13-18H,1-6,9-12H2,(H2,31,34)
InChIKeyYVDUYJHIFTZFSJ-UHFFFAOYSA-N
XLogP6.46
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.55
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,2-dicyclohexyl-2-[2-(2,6-difluorophenyl)benzimidazol-1-yl]acetamide
CID 175289983
2,2-dicyclohexyl-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 174799086
2,2-dicyclohexyl-2-[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]acetamide
CID 175377923
2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]benzimidazol-1-yl]acetamide
CID 175290170
2,2-dicyclohexyl-2-[2-[4-(diethylamino)phenyl]benzimidazol-1-yl]acetamide
CID 175290161
2,2-dicyclohexyl-2-[2-(4-imidazol-1-ylphenyl)benzimidazol-1-yl]acetamide;hydrochloride
CID 68957984
2,2-dicyclohexyl-2-[2-[4-(1H-pyrazol-4-yl)phenyl]benzimidazol-1-yl]acetamide;hydrochloride
CID 175388863
2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-5,6-difluorobenzimidazol-1-yl]acetamide
CID 175290099
1-cyclopentyl-2-(2,3,4-trifluorophenyl)benzimidazole-5-carboxamide
CID 23515639
2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]-6-fluorobenzimidazol-1-yl]acetamide
CID 175290132
3-[1-(2-amino-1,1-dicyclohexyl-2-oxoethyl)-5-fluorobenzimidazol-2-yl]propanoic acid
CID 67984401
2-chloro-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)benzimidazol-1-yl]-N-methylacetamide
CID 141449861

Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclohexyl-2-[2-(2,3,4-trifluorophenyl)benzimidazol-1-yl]acetamide?
The IUPAC name of 2,2-dicyclohexyl-2-[2-(2,3,4-trifluorophenyl)benzimidazol-1-yl]acetamide (CID 175290131) is 2,2-dicyclohexyl-2-[2-(2,3,4-trifluorophenyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for 2,2-dicyclohexyl-2-[2-(2,3,4-trifluorophenyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for 2,2-dicyclohexyl-2-[2-(2,3,4-trifluorophenyl)benzimidazol-1-yl]acetamide is NC(=O)C(C1CCCCC1)(C1CCCCC1)n1c(-c2ccc(F)c(F)c2F)nc2ccccc21.
What is the InChIKey of 2,2-dicyclohexyl-2-[2-(2,3,4-trifluorophenyl)benzimidazol-1-yl]acetamide?
The InChIKey is YVDUYJHIFTZFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N3O/c28-20-16-15-19(23(29)24(20)30)25-32-21-13-7-8-14-22(21)33(25)27(26(31)34,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h7-8,13-18H,1-6,9-12H2,(H2,31,34).
What are the key properties of 2,2-dicyclohexyl-2-[2-(2,3,4-trifluorophenyl)benzimidazol-1-yl]acetamide?
2,2-dicyclohexyl-2-[2-(2,3,4-trifluorophenyl)benzimidazol-1-yl]acetamide has a molecular weight of 469.55 g/mol, XLogP of 6.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclohexyl-2-[2-(2,3,4-trifluorophenyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 175290131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).