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

C28H33F2N3O2 — CID 42605591

IUPACN,2-dicyclohexyl-2-[5,6-difluoro-2-(phenoxymethyl)benzimidazol-1-yl]acetamide
SMILESO=C(NC1CCCCC1)C(C1CCCCC1)n1c(COc2ccccc2)nc2cc(F)c(F)cc21
InChIInChI=1S/C28H33F2N3O2/c29-22-16-24-25(17-23(22)30)33(26(32-24)18-35-21-14-8-3-9-15-21)27(19-10-4-1-5-11-19)28(34)31-20-12-6-2-7-13-20/h3,8-9,14-17,19-20,27H,1-2,4-7,10-13,18H2,(H,31,34)
InChIKeyWOOGOEGHMVIQLA-UHFFFAOYSA-N
MW481.59 g/mol
LogP6.46
Rot. Bonds7

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

N,2-dicyclohexyl-2-[5,6-difluoro-2-(phenoxymethyl)benzimidazol-1-yl]acetamide (PubChem CID 42605591) 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-(phenoxymethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,2-dicyclohexyl-2-[5,6-difluoro-2-(phenoxymethyl)benzimidazol-1-yl]acetamide
PubChem CID42605591
Molecular FormulaC28H33F2N3O2
Molecular Weight481.59 g/mol
Exact Mass481.25
IUPAC NameN,2-dicyclohexyl-2-[5,6-difluoro-2-(phenoxymethyl)benzimidazol-1-yl]acetamide
SMILESO=C(NC1CCCCC1)C(C1CCCCC1)n1c(COc2ccccc2)nc2cc(F)c(F)cc21
InChIInChI=1S/C28H33F2N3O2/c29-22-16-24-25(17-23(22)30)33(26(32-24)18-35-21-14-8-3-9-15-21)27(19-10-4-1-5-11-19)28(34)31-20-12-6-2-7-13-20/h3,8-9,14-17,19-20,27H,1-2,4-7,10-13,18H2,(H,31,34)
InChIKeyWOOGOEGHMVIQLA-UHFFFAOYSA-N
XLogP6.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.59
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dicyclohexyl-2-[5,6-difluoro-2-[(2-hydroxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 67372781
N,2-dicyclohexyl-2-[5-fluoro-2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 42606384
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
2-[2-[(2-chloro-6-methylphenoxy)methyl]-6-fluorobenzimidazol-1-yl]-N,2-dicyclohexylacetamide
CID 42605590
N-cyclohexyl-2-[5,6-difluoro-2-[methoxy(phenyl)methyl]benzimidazol-1-yl]-2-(1,1-dioxothian-4-yl)acetamide
CID 67372442
2-(2-chlorophenoxy)acetic acid;N,2-dicyclohexyl-2-[2-(ethoxymethyl)-5-fluorobenzimidazol-1-yl]acetamide
CID 159992349
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
1-[4-[[2-cyclohexyl-2-[5,6-difluoro-2-[(4-fluorophenyl)methoxymethyl]benzimidazol-1-yl]acetyl]amino]phenoxy]cyclopropane-1-carboxylic acid
CID 66810453
2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexyl-N-phenylacetamide
CID 141238102
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-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N,2-dicyclohexyl-2-[5,6-difluoro-2-(phenoxymethyl)benzimidazol-1-yl]acetamide (CID 42605591) is N,2-dicyclohexyl-2-[5,6-difluoro-2-(phenoxymethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N,2-dicyclohexyl-2-[5,6-difluoro-2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N,2-dicyclohexyl-2-[5,6-difluoro-2-(phenoxymethyl)benzimidazol-1-yl]acetamide is O=C(NC1CCCCC1)C(C1CCCCC1)n1c(COc2ccccc2)nc2cc(F)c(F)cc21.
What is the InChIKey of N,2-dicyclohexyl-2-[5,6-difluoro-2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The InChIKey is WOOGOEGHMVIQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F2N3O2/c29-22-16-24-25(17-23(22)30)33(26(32-24)18-35-21-14-8-3-9-15-21)27(19-10-4-1-5-11-19)28(34)31-20-12-6-2-7-13-20/h3,8-9,14-17,19-20,27H,1-2,4-7,10-13,18H2,(H,31,34).
What are the key properties of N,2-dicyclohexyl-2-[5,6-difluoro-2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
N,2-dicyclohexyl-2-[5,6-difluoro-2-(phenoxymethyl)benzimidazol-1-yl]acetamide has a molecular weight of 481.59 g/mol, XLogP of 6.46, 7 rotatable bonds, 1 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-(phenoxymethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 42605591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).