2,2-dicyclohexyl-2-[2-(2,6-difluorophenyl)benzimidazol-1-yl]acetamide

C27H31F2N3O — CID 175289983

IUPAC2,2-dicyclohexyl-2-[2-(2,6-difluorophenyl)benzimidazol-1-yl]acetamide
SMILESNC(=O)C(C1CCCCC1)(C1CCCCC1)n1c(-c2c(F)cccc2F)nc2ccccc21
InChIInChI=1S/C27H31F2N3O/c28-20-14-9-15-21(29)24(20)25-31-22-16-7-8-17-23(22)32(25)27(26(30)33,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h7-9,14-19H,1-6,10-13H2,(H2,30,33)
InChIKeyAVLHRODQCHZIEQ-UHFFFAOYSA-N
MW451.56 g/mol
LogP6.32
Rot. Bonds5

About 2,2-dicyclohexyl-2-[2-(2,6-difluorophenyl)benzimidazol-1-yl]acetamide

2,2-dicyclohexyl-2-[2-(2,6-difluorophenyl)benzimidazol-1-yl]acetamide (PubChem CID 175289983) has the molecular formula C27H31F2N3O and a molecular weight of 451.56 g/mol. Its IUPAC name is 2,2-dicyclohexyl-2-[2-(2,6-difluorophenyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound Name2,2-dicyclohexyl-2-[2-(2,6-difluorophenyl)benzimidazol-1-yl]acetamide
PubChem CID175289983
Molecular FormulaC27H31F2N3O
Molecular Weight451.56 g/mol
Exact Mass451.24
IUPAC Name2,2-dicyclohexyl-2-[2-(2,6-difluorophenyl)benzimidazol-1-yl]acetamide
SMILESNC(=O)C(C1CCCCC1)(C1CCCCC1)n1c(-c2c(F)cccc2F)nc2ccccc21
InChIInChI=1S/C27H31F2N3O/c28-20-14-9-15-21(29)24(20)25-31-22-16-7-8-17-23(22)32(25)27(26(30)33,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h7-9,14-19H,1-6,10-13H2,(H2,30,33)
InChIKeyAVLHRODQCHZIEQ-UHFFFAOYSA-N
XLogP6.32
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.56
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclohexyl-2-[2-(2,6-difluorophenyl)benzimidazol-1-yl]acetamide?
The IUPAC name of 2,2-dicyclohexyl-2-[2-(2,6-difluorophenyl)benzimidazol-1-yl]acetamide (CID 175289983) is 2,2-dicyclohexyl-2-[2-(2,6-difluorophenyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for 2,2-dicyclohexyl-2-[2-(2,6-difluorophenyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for 2,2-dicyclohexyl-2-[2-(2,6-difluorophenyl)benzimidazol-1-yl]acetamide is NC(=O)C(C1CCCCC1)(C1CCCCC1)n1c(-c2c(F)cccc2F)nc2ccccc21.
What is the InChIKey of 2,2-dicyclohexyl-2-[2-(2,6-difluorophenyl)benzimidazol-1-yl]acetamide?
The InChIKey is AVLHRODQCHZIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F2N3O/c28-20-14-9-15-21(29)24(20)25-31-22-16-7-8-17-23(22)32(25)27(26(30)33,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h7-9,14-19H,1-6,10-13H2,(H2,30,33).
What are the key properties of 2,2-dicyclohexyl-2-[2-(2,6-difluorophenyl)benzimidazol-1-yl]acetamide?
2,2-dicyclohexyl-2-[2-(2,6-difluorophenyl)benzimidazol-1-yl]acetamide has a molecular weight of 451.56 g/mol, XLogP of 6.32, 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-(2,6-difluorophenyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 175289983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).