N,2-dicyclohexyl-2-[2-[2-(1,3-dioxol-4-yl)-3-phenylpropyl]-6-fluorobenzimidazol-1-yl]acetamide

C33H40FN3O3 — CID 68503329

IUPACN,2-dicyclohexyl-2-[2-[2-(1,3-dioxol-4-yl)-3-phenylpropyl]-6-fluorobenzimidazol-1-yl]acetamide
SMILESO=C(NC1CCCCC1)C(C1CCCCC1)n1c(CC(Cc2ccccc2)C2=COCO2)nc2ccc(F)cc21
InChIInChI=1S/C33H40FN3O3/c34-26-16-17-28-29(20-26)37(32(24-12-6-2-7-13-24)33(38)35-27-14-8-3-9-15-27)31(36-28)19-25(30-21-39-22-40-30)18-23-10-4-1-5-11-23/h1,4-5,10-11,16-17,20-21,24-25,27,32H,2-3,6-9,12-15,18-19,22H2,(H,35,38)
InChIKeyKATBKLLKZMEWHC-UHFFFAOYSA-N
MW545.70 g/mol
LogP6.99
Rot. Bonds9

About N,2-dicyclohexyl-2-[2-[2-(1,3-dioxol-4-yl)-3-phenylpropyl]-6-fluorobenzimidazol-1-yl]acetamide

N,2-dicyclohexyl-2-[2-[2-(1,3-dioxol-4-yl)-3-phenylpropyl]-6-fluorobenzimidazol-1-yl]acetamide (PubChem CID 68503329) has the molecular formula C33H40FN3O3 and a molecular weight of 545.70 g/mol. Its IUPAC name is N,2-dicyclohexyl-2-[2-[2-(1,3-dioxol-4-yl)-3-phenylpropyl]-6-fluorobenzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,2-dicyclohexyl-2-[2-[2-(1,3-dioxol-4-yl)-3-phenylpropyl]-6-fluorobenzimidazol-1-yl]acetamide
PubChem CID68503329
Molecular FormulaC33H40FN3O3
Molecular Weight545.70 g/mol
Exact Mass545.31
IUPAC NameN,2-dicyclohexyl-2-[2-[2-(1,3-dioxol-4-yl)-3-phenylpropyl]-6-fluorobenzimidazol-1-yl]acetamide
SMILESO=C(NC1CCCCC1)C(C1CCCCC1)n1c(CC(Cc2ccccc2)C2=COCO2)nc2ccc(F)cc21
InChIInChI=1S/C33H40FN3O3/c34-26-16-17-28-29(20-26)37(32(24-12-6-2-7-13-24)33(38)35-27-14-8-3-9-15-27)31(36-28)19-25(30-21-39-22-40-30)18-23-10-4-1-5-11-23/h1,4-5,10-11,16-17,20-21,24-25,27,32H,2-3,6-9,12-15,18-19,22H2,(H,35,38)
InChIKeyKATBKLLKZMEWHC-UHFFFAOYSA-N
XLogP6.99
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.70
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,2-dicyclohexyl-2-[2-[2-(1,3-dioxol-4-yl)-3-phenylpropyl]-6-fluorobenzimidazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(2-chloro-6-methylphenoxy)methyl]-6-fluorobenzimidazol-1-yl]-N,2-dicyclohexylacetamide
CID 42605590
N,2-dicyclohexyl-2-[5,6-difluoro-2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 42605591
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
2-(2-chlorophenoxy)acetic acid;N,2-dicyclohexyl-2-[2-(ethoxymethyl)-5-fluorobenzimidazol-1-yl]acetamide
CID 159992349
N,2-dicyclohexyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide
CID 68694561
N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 68689707
N,2-dicyclohexyl-2-[5,6-difluoro-2-[(S)-methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide
CID 67372409
2-[2-[1-(2-chlorophenoxy)ethyl]-5-fluorobenzimidazol-1-yl]-N,2-dicyclohexylacetamide
CID 42605593
(2S)-N,2-dicyclohexyl-2-[2-[4-(hydroxymethyl)phenyl]benzimidazol-1-yl]acetamide
CID 25133131
N,2-dicyclohexyl-2-[2-(3-methylsulfonylphenyl)benzimidazol-1-yl]acetamide
CID 68692288
N-cyclopentyl-2-(2-cyclopentylbenzimidazol-1-yl)-2-cyclopropylacetamide
CID 53383208

Frequently Asked Questions

What is the IUPAC name of N,2-dicyclohexyl-2-[2-[2-(1,3-dioxol-4-yl)-3-phenylpropyl]-6-fluorobenzimidazol-1-yl]acetamide?
The IUPAC name of N,2-dicyclohexyl-2-[2-[2-(1,3-dioxol-4-yl)-3-phenylpropyl]-6-fluorobenzimidazol-1-yl]acetamide (CID 68503329) is N,2-dicyclohexyl-2-[2-[2-(1,3-dioxol-4-yl)-3-phenylpropyl]-6-fluorobenzimidazol-1-yl]acetamide.
What is the SMILES notation for N,2-dicyclohexyl-2-[2-[2-(1,3-dioxol-4-yl)-3-phenylpropyl]-6-fluorobenzimidazol-1-yl]acetamide?
The canonical SMILES for N,2-dicyclohexyl-2-[2-[2-(1,3-dioxol-4-yl)-3-phenylpropyl]-6-fluorobenzimidazol-1-yl]acetamide is O=C(NC1CCCCC1)C(C1CCCCC1)n1c(CC(Cc2ccccc2)C2=COCO2)nc2ccc(F)cc21.
What is the InChIKey of N,2-dicyclohexyl-2-[2-[2-(1,3-dioxol-4-yl)-3-phenylpropyl]-6-fluorobenzimidazol-1-yl]acetamide?
The InChIKey is KATBKLLKZMEWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40FN3O3/c34-26-16-17-28-29(20-26)37(32(24-12-6-2-7-13-24)33(38)35-27-14-8-3-9-15-27)31(36-28)19-25(30-21-39-22-40-30)18-23-10-4-1-5-11-23/h1,4-5,10-11,16-17,20-21,24-25,27,32H,2-3,6-9,12-15,18-19,22H2,(H,35,38).
What are the key properties of N,2-dicyclohexyl-2-[2-[2-(1,3-dioxol-4-yl)-3-phenylpropyl]-6-fluorobenzimidazol-1-yl]acetamide?
N,2-dicyclohexyl-2-[2-[2-(1,3-dioxol-4-yl)-3-phenylpropyl]-6-fluorobenzimidazol-1-yl]acetamide has a molecular weight of 545.70 g/mol, XLogP of 6.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dicyclohexyl-2-[2-[2-(1,3-dioxol-4-yl)-3-phenylpropyl]-6-fluorobenzimidazol-1-yl]acetamide is sourced from PubChem (CID 68503329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).