2-[2-[1-(2-chlorophenoxy)ethyl]-5-fluorobenzimidazol-1-yl]-N,2-dicyclohexylacetamide

C29H35ClFN3O2 — CID 42605593

IUPAC2-[2-[1-(2-chlorophenoxy)ethyl]-5-fluorobenzimidazol-1-yl]-N,2-dicyclohexylacetamide
SMILESCC(Oc1ccccc1Cl)c1nc2cc(F)ccc2n1C(C(=O)NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C29H35ClFN3O2/c1-19(36-26-15-9-8-14-23(26)30)28-33-24-18-21(31)16-17-25(24)34(28)27(20-10-4-2-5-11-20)29(35)32-22-12-6-3-7-13-22/h8-9,14-20,22,27H,2-7,10-13H2,1H3,(H,32,35)
InChIKeyHDCLCQQZWVZLEB-UHFFFAOYSA-N
MW512.07 g/mol
LogP7.54
Rot. Bonds7

About 2-[2-[1-(2-chlorophenoxy)ethyl]-5-fluorobenzimidazol-1-yl]-N,2-dicyclohexylacetamide

2-[2-[1-(2-chlorophenoxy)ethyl]-5-fluorobenzimidazol-1-yl]-N,2-dicyclohexylacetamide (PubChem CID 42605593) has the molecular formula C29H35ClFN3O2 and a molecular weight of 512.07 g/mol. Its IUPAC name is 2-[2-[1-(2-chlorophenoxy)ethyl]-5-fluorobenzimidazol-1-yl]-N,2-dicyclohexylacetamide.

Molecular Properties

Compound Name2-[2-[1-(2-chlorophenoxy)ethyl]-5-fluorobenzimidazol-1-yl]-N,2-dicyclohexylacetamide
PubChem CID42605593
Molecular FormulaC29H35ClFN3O2
Molecular Weight512.07 g/mol
Exact Mass511.24
IUPAC Name2-[2-[1-(2-chlorophenoxy)ethyl]-5-fluorobenzimidazol-1-yl]-N,2-dicyclohexylacetamide
SMILESCC(Oc1ccccc1Cl)c1nc2cc(F)ccc2n1C(C(=O)NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C29H35ClFN3O2/c1-19(36-26-15-9-8-14-23(26)30)28-33-24-18-21(31)16-17-25(24)34(28)27(20-10-4-2-5-11-20)29(35)32-22-12-6-3-7-13-22/h8-9,14-20,22,27H,2-7,10-13H2,1H3,(H,32,35)
InChIKeyHDCLCQQZWVZLEB-UHFFFAOYSA-N
XLogP7.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.07
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[1-(2-chlorophenoxy)ethyl]-5-fluorobenzimidazol-1-yl]-N,2-dicyclohexylacetamide 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
N,2-dicyclohexyl-2-[5-fluoro-2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 42606384
2-cyclohexyl-2-[2-[cyclohexyl(methoxy)methyl]-5,6-difluorobenzimidazol-1-yl]-N-cyclopentylacetamide
CID 67373327
2-[2-[(2-chloro-6-methylphenoxy)methyl]-6-fluorobenzimidazol-1-yl]-N,2-dicyclohexylacetamide
CID 42605590
N,2-dicyclohexyl-2-[5,6-difluoro-2-[(S)-methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide
CID 67372409
2-[6-chloro-2-[(3,4-dimethoxyphenyl)sulfanylmethyl]-5-fluorobenzimidazol-1-yl]-N,2-dicyclohexylacetamide
CID 42606852
(2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7815946
N,2-dicyclohexyl-2-[5,6-difluoro-2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 42605591
2-[[5-[1-(2-chloro-4-fluorophenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide
CID 17307122
N-cyclohexyl-2-[5,6-difluoro-2-[methoxy(phenyl)methyl]benzimidazol-1-yl]-2-(1,1-dioxothian-4-yl)acetamide
CID 67372442
N,2-dicyclohexyl-2-[5,6-difluoro-2-[(2-hydroxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 67372781
2-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide
CID 43667749

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2-chlorophenoxy)ethyl]-5-fluorobenzimidazol-1-yl]-N,2-dicyclohexylacetamide?
The IUPAC name of 2-[2-[1-(2-chlorophenoxy)ethyl]-5-fluorobenzimidazol-1-yl]-N,2-dicyclohexylacetamide (CID 42605593) is 2-[2-[1-(2-chlorophenoxy)ethyl]-5-fluorobenzimidazol-1-yl]-N,2-dicyclohexylacetamide.
What is the SMILES notation for 2-[2-[1-(2-chlorophenoxy)ethyl]-5-fluorobenzimidazol-1-yl]-N,2-dicyclohexylacetamide?
The canonical SMILES for 2-[2-[1-(2-chlorophenoxy)ethyl]-5-fluorobenzimidazol-1-yl]-N,2-dicyclohexylacetamide is CC(Oc1ccccc1Cl)c1nc2cc(F)ccc2n1C(C(=O)NC1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-[2-[1-(2-chlorophenoxy)ethyl]-5-fluorobenzimidazol-1-yl]-N,2-dicyclohexylacetamide?
The InChIKey is HDCLCQQZWVZLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClFN3O2/c1-19(36-26-15-9-8-14-23(26)30)28-33-24-18-21(31)16-17-25(24)34(28)27(20-10-4-2-5-11-20)29(35)32-22-12-6-3-7-13-22/h8-9,14-20,22,27H,2-7,10-13H2,1H3,(H,32,35).
What are the key properties of 2-[2-[1-(2-chlorophenoxy)ethyl]-5-fluorobenzimidazol-1-yl]-N,2-dicyclohexylacetamide?
2-[2-[1-(2-chlorophenoxy)ethyl]-5-fluorobenzimidazol-1-yl]-N,2-dicyclohexylacetamide has a molecular weight of 512.07 g/mol, XLogP of 7.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2-chlorophenoxy)ethyl]-5-fluorobenzimidazol-1-yl]-N,2-dicyclohexylacetamide is sourced from PubChem (CID 42605593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).