N,2-dicyclohexyl-2-[5,6-difluoro-2-[(3-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide

C29H35F2N3O2 — CID 67375089

IUPACN,2-dicyclohexyl-2-[5,6-difluoro-2-[(3-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
SMILESCOc1cccc(Cc2nc3cc(F)c(F)cc3n2C(C(=O)NC2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C29H35F2N3O2/c1-36-22-14-8-9-19(15-22)16-27-33-25-17-23(30)24(31)18-26(25)34(27)28(20-10-4-2-5-11-20)29(35)32-21-12-6-3-7-13-21/h8-9,14-15,17-18,20-21,28H,2-7,10-13,16H2,1H3,(H,32,35)
InChIKeyJELDIVGUKKSYLS-UHFFFAOYSA-N
MW495.61 g/mol
LogP6.48
Rot. Bonds7

About N,2-dicyclohexyl-2-[5,6-difluoro-2-[(3-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide

N,2-dicyclohexyl-2-[5,6-difluoro-2-[(3-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide (PubChem CID 67375089) has the molecular formula C29H35F2N3O2 and a molecular weight of 495.61 g/mol. Its IUPAC name is N,2-dicyclohexyl-2-[5,6-difluoro-2-[(3-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,2-dicyclohexyl-2-[5,6-difluoro-2-[(3-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
PubChem CID67375089
Molecular FormulaC29H35F2N3O2
Molecular Weight495.61 g/mol
Exact Mass495.27
IUPAC NameN,2-dicyclohexyl-2-[5,6-difluoro-2-[(3-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
SMILESCOc1cccc(Cc2nc3cc(F)c(F)cc3n2C(C(=O)NC2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C29H35F2N3O2/c1-36-22-14-8-9-19(15-22)16-27-33-25-17-23(30)24(31)18-26(25)34(27)28(20-10-4-2-5-11-20)29(35)32-21-12-6-3-7-13-21/h8-9,14-15,17-18,20-21,28H,2-7,10-13,16H2,1H3,(H,32,35)
InChIKeyJELDIVGUKKSYLS-UHFFFAOYSA-N
XLogP6.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.61
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dicyclohexyl-2-[5,6-difluoro-2-[(3-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N,2-dicyclohexyl-2-[5,6-difluoro-2-[(3-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide (CID 67375089) is N,2-dicyclohexyl-2-[5,6-difluoro-2-[(3-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N,2-dicyclohexyl-2-[5,6-difluoro-2-[(3-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N,2-dicyclohexyl-2-[5,6-difluoro-2-[(3-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide is COc1cccc(Cc2nc3cc(F)c(F)cc3n2C(C(=O)NC2CCCCC2)C2CCCCC2)c1.
What is the InChIKey of N,2-dicyclohexyl-2-[5,6-difluoro-2-[(3-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide?
The InChIKey is JELDIVGUKKSYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F2N3O2/c1-36-22-14-8-9-19(15-22)16-27-33-25-17-23(30)24(31)18-26(25)34(27)28(20-10-4-2-5-11-20)29(35)32-21-12-6-3-7-13-21/h8-9,14-15,17-18,20-21,28H,2-7,10-13,16H2,1H3,(H,32,35).
What are the key properties of N,2-dicyclohexyl-2-[5,6-difluoro-2-[(3-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide?
N,2-dicyclohexyl-2-[5,6-difluoro-2-[(3-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide has a molecular weight of 495.61 g/mol, XLogP of 6.48, 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-[(3-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 67375089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).