N-ethyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxypiperidine-1-carboximidamide

C24H31N5O — CID 109426546

IUPACN-ethyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxypiperidine-1-carboximidamide
SMILESCCN/C(=N\CCn1c(C)nc2ccccc21)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C24H31N5O/c1-3-25-24(26-15-18-29-19(2)27-22-11-7-8-12-23(22)29)28-16-13-21(14-17-28)30-20-9-5-4-6-10-20/h4-12,21H,3,13-18H2,1-2H3,(H,25,26)
InChIKeyCVFMITZVFTZULA-UHFFFAOYSA-N
MW405.55 g/mol
LogP3.85
Rot. Bonds6

About N-ethyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxypiperidine-1-carboximidamide

N-ethyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxypiperidine-1-carboximidamide (PubChem CID 109426546) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is N-ethyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxypiperidine-1-carboximidamide
PubChem CID109426546
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC NameN-ethyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxypiperidine-1-carboximidamide
SMILESCCN/C(=N\CCn1c(C)nc2ccccc21)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C24H31N5O/c1-3-25-24(26-15-18-29-19(2)27-22-11-7-8-12-23(22)29)28-16-13-21(14-17-28)30-20-9-5-4-6-10-20/h4-12,21H,3,13-18H2,1-2H3,(H,25,26)
InChIKeyCVFMITZVFTZULA-UHFFFAOYSA-N
XLogP3.85
TPSA54.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-ethyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxypiperidine-1-carboximidamide 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-ethyl-3-(2-methoxyethoxymethyl)-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidine-1-carboximidamide
CID 111748161
N'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide
CID 109426874
N-ethyl-N'-(2-morpholin-4-ylethyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427606
N'-[3-(dimethylamino)propyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427920
N-ethyl-N'-(3-imidazol-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426971
N-ethyl-N'-[2-(4-methoxyphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427919
N'-[7-(dimethylamino)heptyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427634
N-[2-[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109426489
N-ethyl-N'-[4-(4-methylpiperazin-1-yl)butyl]-4-phenoxypiperidine-1-carboximidamide
CID 109426614
N-ethyl-N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427277
3-[[ethylamino-(4-phenoxypiperidin-1-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 109427886
N-ethyl-4-phenoxy-N'-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide
CID 109426886

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxypiperidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxypiperidine-1-carboximidamide (CID 109426546) is N-ethyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxypiperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxypiperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxypiperidine-1-carboximidamide is CCN/C(=N\CCn1c(C)nc2ccccc21)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of N-ethyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxypiperidine-1-carboximidamide?
The InChIKey is CVFMITZVFTZULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-3-25-24(26-15-18-29-19(2)27-22-11-7-8-12-23(22)29)28-16-13-21(14-17-28)30-20-9-5-4-6-10-20/h4-12,21H,3,13-18H2,1-2H3,(H,25,26).
What are the key properties of N-ethyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxypiperidine-1-carboximidamide?
N-ethyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxypiperidine-1-carboximidamide has a molecular weight of 405.55 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxypiperidine-1-carboximidamide is sourced from PubChem (CID 109426546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).