N,2-dicyclohexyl-2-[5-fluoro-2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]acetamide

C29H36FN3O2 — CID 42606384

IUPACN,2-dicyclohexyl-2-[5-fluoro-2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
SMILESCc1ccccc1OCc1nc2cc(F)ccc2n1C(C(=O)NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C29H36FN3O2/c1-20-10-8-9-15-26(20)35-19-27-32-24-18-22(30)16-17-25(24)33(27)28(21-11-4-2-5-12-21)29(34)31-23-13-6-3-7-14-23/h8-10,15-18,21,23,28H,2-7,11-14,19H2,1H3,(H,31,34)
InChIKeyRIGJMUVTAGUXTQ-UHFFFAOYSA-N
MW477.62 g/mol
LogP6.63
Rot. Bonds7

About N,2-dicyclohexyl-2-[5-fluoro-2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]acetamide

N,2-dicyclohexyl-2-[5-fluoro-2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]acetamide (PubChem CID 42606384) has the molecular formula C29H36FN3O2 and a molecular weight of 477.62 g/mol. Its IUPAC name is N,2-dicyclohexyl-2-[5-fluoro-2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,2-dicyclohexyl-2-[5-fluoro-2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
PubChem CID42606384
Molecular FormulaC29H36FN3O2
Molecular Weight477.62 g/mol
Exact Mass477.28
IUPAC NameN,2-dicyclohexyl-2-[5-fluoro-2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
SMILESCc1ccccc1OCc1nc2cc(F)ccc2n1C(C(=O)NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C29H36FN3O2/c1-20-10-8-9-15-26(20)35-19-27-32-24-18-22(30)16-17-25(24)33(27)28(21-11-4-2-5-12-21)29(34)31-23-13-6-3-7-14-23/h8-10,15-18,21,23,28H,2-7,11-14,19H2,1H3,(H,31,34)
InChIKeyRIGJMUVTAGUXTQ-UHFFFAOYSA-N
XLogP6.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.62
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,2-dicyclohexyl-2-[5-fluoro-2-[(2-methylphenoxy)methyl]benzimidazol-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-chlorophenoxy)acetic acid;N,2-dicyclohexyl-2-[2-(ethoxymethyl)-5-fluorobenzimidazol-1-yl]acetamide
CID 159992349
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
2-[2-[1-(2-chlorophenoxy)ethyl]-5-fluorobenzimidazol-1-yl]-N,2-dicyclohexylacetamide
CID 42605593
N,2-dicyclohexyl-2-[5,6-difluoro-2-[(2-hydroxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 67372781
N,2-dicyclohexyl-2-[2-[2-(1,3-dioxol-4-yl)-3-phenylpropyl]-6-fluorobenzimidazol-1-yl]acetamide
CID 68503329
N,2-dicyclohexyl-2-[2-(4-methoxy-3,5-dimethylphenyl)benzimidazol-1-yl]acetamide
CID 68698002
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
N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 68689707
2-[6-chloro-2-[(3,4-dimethoxyphenyl)sulfanylmethyl]-5-fluorobenzimidazol-1-yl]-N,2-dicyclohexylacetamide
CID 42606852
N,2-dicyclohexyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 68694070

Frequently Asked Questions

What is the IUPAC name of N,2-dicyclohexyl-2-[5-fluoro-2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N,2-dicyclohexyl-2-[5-fluoro-2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]acetamide (CID 42606384) is N,2-dicyclohexyl-2-[5-fluoro-2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N,2-dicyclohexyl-2-[5-fluoro-2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N,2-dicyclohexyl-2-[5-fluoro-2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]acetamide is Cc1ccccc1OCc1nc2cc(F)ccc2n1C(C(=O)NC1CCCCC1)C1CCCCC1.
What is the InChIKey of N,2-dicyclohexyl-2-[5-fluoro-2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]acetamide?
The InChIKey is RIGJMUVTAGUXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36FN3O2/c1-20-10-8-9-15-26(20)35-19-27-32-24-18-22(30)16-17-25(24)33(27)28(21-11-4-2-5-12-21)29(34)31-23-13-6-3-7-14-23/h8-10,15-18,21,23,28H,2-7,11-14,19H2,1H3,(H,31,34).
What are the key properties of N,2-dicyclohexyl-2-[5-fluoro-2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]acetamide?
N,2-dicyclohexyl-2-[5-fluoro-2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]acetamide has a molecular weight of 477.62 g/mol, XLogP of 6.63, 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-fluoro-2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 42606384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).