N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclohexanecarboxamide

C23H27N3O2 — CID 16968451

IUPACN-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclohexanecarboxamide
SMILESO=C(NCc1nc2ccccc2n1CCOc1ccccc1)C1CCCCC1
InChIInChI=1S/C23H27N3O2/c27-23(18-9-3-1-4-10-18)24-17-22-25-20-13-7-8-14-21(20)26(22)15-16-28-19-11-5-2-6-12-19/h2,5-8,11-14,18H,1,3-4,9-10,15-17H2,(H,24,27)
InChIKeyJJCZUZPDRLSTAC-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.31
Rot. Bonds7

About N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclohexanecarboxamide

N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclohexanecarboxamide (PubChem CID 16968451) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclohexanecarboxamide
PubChem CID16968451
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclohexanecarboxamide
SMILESO=C(NCc1nc2ccccc2n1CCOc1ccccc1)C1CCCCC1
InChIInChI=1S/C23H27N3O2/c27-23(18-9-3-1-4-10-18)24-17-22-25-20-13-7-8-14-21(20)26(22)15-16-28-19-11-5-2-6-12-19/h2,5-8,11-14,18H,1,3-4,9-10,15-17H2,(H,24,27)
InChIKeyJJCZUZPDRLSTAC-UHFFFAOYSA-N
XLogP4.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclohexanecarboxamide 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

N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969825
N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 16968473
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide
CID 17005925
N-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 16968415
N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969834
N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974054
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972240
N-[2-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16975091
N-[[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969925
N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16975077
N-[2-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 18888801
2-fluoro-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17007775

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclohexanecarboxamide (CID 16968451) is N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclohexanecarboxamide is O=C(NCc1nc2ccccc2n1CCOc1ccccc1)C1CCCCC1.
What is the InChIKey of N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclohexanecarboxamide?
The InChIKey is JJCZUZPDRLSTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-23(18-9-3-1-4-10-18)24-17-22-25-20-13-7-8-14-21(20)26(22)15-16-28-19-11-5-2-6-12-19/h2,5-8,11-14,18H,1,3-4,9-10,15-17H2,(H,24,27).
What are the key properties of N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclohexanecarboxamide?
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclohexanecarboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 16968451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).