2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-5,6-difluorobenzimidazol-1-yl]acetamide

C29H35F2N3O3 — CID 175290099

IUPAC2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-5,6-difluorobenzimidazol-1-yl]acetamide
SMILESCOc1ccc(-c2nc3cc(F)c(F)cc3n2C(C(N)=O)(C2CCCCC2)C2CCCCC2)c(OC)c1
InChIInChI=1S/C29H35F2N3O3/c1-36-20-13-14-21(26(15-20)37-2)27-33-24-16-22(30)23(31)17-25(24)34(27)29(28(32)35,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h13-19H,3-12H2,1-2H3,(H2,32,35)
InChIKeyHHUOSZFDDBUTIE-UHFFFAOYSA-N
MW511.61 g/mol
LogP6.34
Rot. Bonds7

About 2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-5,6-difluorobenzimidazol-1-yl]acetamide

2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-5,6-difluorobenzimidazol-1-yl]acetamide (PubChem CID 175290099) has the molecular formula C29H35F2N3O3 and a molecular weight of 511.61 g/mol. Its IUPAC name is 2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-5,6-difluorobenzimidazol-1-yl]acetamide.

Molecular Properties

Compound Name2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-5,6-difluorobenzimidazol-1-yl]acetamide
PubChem CID175290099
Molecular FormulaC29H35F2N3O3
Molecular Weight511.61 g/mol
Exact Mass511.26
IUPAC Name2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-5,6-difluorobenzimidazol-1-yl]acetamide
SMILESCOc1ccc(-c2nc3cc(F)c(F)cc3n2C(C(N)=O)(C2CCCCC2)C2CCCCC2)c(OC)c1
InChIInChI=1S/C29H35F2N3O3/c1-36-20-13-14-21(26(15-20)37-2)27-33-24-16-22(30)23(31)17-25(24)34(27)29(28(32)35,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h13-19H,3-12H2,1-2H3,(H2,32,35)
InChIKeyHHUOSZFDDBUTIE-UHFFFAOYSA-N
XLogP6.34
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.61
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-5,6-difluorobenzimidazol-1-yl]acetamide?
The IUPAC name of 2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-5,6-difluorobenzimidazol-1-yl]acetamide (CID 175290099) is 2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-5,6-difluorobenzimidazol-1-yl]acetamide.
What is the SMILES notation for 2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-5,6-difluorobenzimidazol-1-yl]acetamide?
The canonical SMILES for 2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-5,6-difluorobenzimidazol-1-yl]acetamide is COc1ccc(-c2nc3cc(F)c(F)cc3n2C(C(N)=O)(C2CCCCC2)C2CCCCC2)c(OC)c1.
What is the InChIKey of 2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-5,6-difluorobenzimidazol-1-yl]acetamide?
The InChIKey is HHUOSZFDDBUTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F2N3O3/c1-36-20-13-14-21(26(15-20)37-2)27-33-24-16-22(30)23(31)17-25(24)34(27)29(28(32)35,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h13-19H,3-12H2,1-2H3,(H2,32,35).
What are the key properties of 2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-5,6-difluorobenzimidazol-1-yl]acetamide?
2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-5,6-difluorobenzimidazol-1-yl]acetamide has a molecular weight of 511.61 g/mol, XLogP of 6.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-5,6-difluorobenzimidazol-1-yl]acetamide is sourced from PubChem (CID 175290099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).