N,2-dicyclohexyl-2-[5,6-difluoro-2-[(2-hydroxyphenyl)methyl]benzimidazol-1-yl]acetamide

C28H33F2N3O2 — CID 67372781

IUPACN,2-dicyclohexyl-2-[5,6-difluoro-2-[(2-hydroxyphenyl)methyl]benzimidazol-1-yl]acetamide
SMILESO=C(NC1CCCCC1)C(C1CCCCC1)n1c(Cc2ccccc2O)nc2cc(F)c(F)cc21
InChIInChI=1S/C28H33F2N3O2/c29-21-16-23-24(17-22(21)30)33(26(32-23)15-19-11-7-8-14-25(19)34)27(18-9-3-1-4-10-18)28(35)31-20-12-5-2-6-13-20/h7-8,11,14,16-18,20,27,34H,1-6,9-10,12-13,15H2,(H,31,35)
InChIKeySQFQSEIFKXTUFZ-UHFFFAOYSA-N
MW481.59 g/mol
LogP6.18
Rot. Bonds6

About N,2-dicyclohexyl-2-[5,6-difluoro-2-[(2-hydroxyphenyl)methyl]benzimidazol-1-yl]acetamide

N,2-dicyclohexyl-2-[5,6-difluoro-2-[(2-hydroxyphenyl)methyl]benzimidazol-1-yl]acetamide (PubChem CID 67372781) has the molecular formula C28H33F2N3O2 and a molecular weight of 481.59 g/mol. Its IUPAC name is N,2-dicyclohexyl-2-[5,6-difluoro-2-[(2-hydroxyphenyl)methyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,2-dicyclohexyl-2-[5,6-difluoro-2-[(2-hydroxyphenyl)methyl]benzimidazol-1-yl]acetamide
PubChem CID67372781
Molecular FormulaC28H33F2N3O2
Molecular Weight481.59 g/mol
Exact Mass481.25
IUPAC NameN,2-dicyclohexyl-2-[5,6-difluoro-2-[(2-hydroxyphenyl)methyl]benzimidazol-1-yl]acetamide
SMILESO=C(NC1CCCCC1)C(C1CCCCC1)n1c(Cc2ccccc2O)nc2cc(F)c(F)cc21
InChIInChI=1S/C28H33F2N3O2/c29-21-16-23-24(17-22(21)30)33(26(32-23)15-19-11-7-8-14-25(19)34)27(18-9-3-1-4-10-18)28(35)31-20-12-5-2-6-13-20/h7-8,11,14,16-18,20,27,34H,1-6,9-10,12-13,15H2,(H,31,35)
InChIKeySQFQSEIFKXTUFZ-UHFFFAOYSA-N
XLogP6.18
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.59
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dicyclohexyl-2-[5,6-difluoro-2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 42605591
N,2-dicyclohexyl-2-[5,6-difluoro-2-[(S)-methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide
CID 67372409
2-cyclohexyl-2-[2-[cyclohexyl(methoxy)methyl]-5,6-difluorobenzimidazol-1-yl]-N-cyclopentylacetamide
CID 67373327
N,2-dicyclohexyl-2-[5-fluoro-2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 42606384
N-cyclohexyl-2-[5,6-difluoro-2-[methoxy(phenyl)methyl]benzimidazol-1-yl]-2-(1,1-dioxothian-4-yl)acetamide
CID 67372442
2-[6-chloro-2-[(3,4-dimethoxyphenyl)sulfanylmethyl]-5-fluorobenzimidazol-1-yl]-N,2-dicyclohexylacetamide
CID 42606852
N,2-dicyclohexyl-2-[2-[2-(1,3-dioxol-4-yl)-3-phenylpropyl]-6-fluorobenzimidazol-1-yl]acetamide
CID 68503329
2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexyl-N-phenylacetamide
CID 141238102
2-[2-[(2-chloro-6-methylphenoxy)methyl]-6-fluorobenzimidazol-1-yl]-N,2-dicyclohexylacetamide
CID 42605590
N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopentylacetamide
CID 66619313
(2S)-N-cyclohexyl-2-[5,6-difluoro-2-(6-pyrazol-1-yl-3-pyridinyl)benzimidazol-1-yl]-2-(oxan-4-yl)acetamide
CID 126962451
N-benzyl-2-cyclohexyl-2-[5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide
CID 67371589

Frequently Asked Questions

What is the IUPAC name of N,2-dicyclohexyl-2-[5,6-difluoro-2-[(2-hydroxyphenyl)methyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N,2-dicyclohexyl-2-[5,6-difluoro-2-[(2-hydroxyphenyl)methyl]benzimidazol-1-yl]acetamide (CID 67372781) is N,2-dicyclohexyl-2-[5,6-difluoro-2-[(2-hydroxyphenyl)methyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N,2-dicyclohexyl-2-[5,6-difluoro-2-[(2-hydroxyphenyl)methyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N,2-dicyclohexyl-2-[5,6-difluoro-2-[(2-hydroxyphenyl)methyl]benzimidazol-1-yl]acetamide is O=C(NC1CCCCC1)C(C1CCCCC1)n1c(Cc2ccccc2O)nc2cc(F)c(F)cc21.
What is the InChIKey of N,2-dicyclohexyl-2-[5,6-difluoro-2-[(2-hydroxyphenyl)methyl]benzimidazol-1-yl]acetamide?
The InChIKey is SQFQSEIFKXTUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F2N3O2/c29-21-16-23-24(17-22(21)30)33(26(32-23)15-19-11-7-8-14-25(19)34)27(18-9-3-1-4-10-18)28(35)31-20-12-5-2-6-13-20/h7-8,11,14,16-18,20,27,34H,1-6,9-10,12-13,15H2,(H,31,35).
What are the key properties of N,2-dicyclohexyl-2-[5,6-difluoro-2-[(2-hydroxyphenyl)methyl]benzimidazol-1-yl]acetamide?
N,2-dicyclohexyl-2-[5,6-difluoro-2-[(2-hydroxyphenyl)methyl]benzimidazol-1-yl]acetamide has a molecular weight of 481.59 g/mol, XLogP of 6.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dicyclohexyl-2-[5,6-difluoro-2-[(2-hydroxyphenyl)methyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 67372781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).