2-methyl-N'-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide

C15H22IN5O2 — CID 120661795

IUPAC2-methyl-N'-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/CCn2c(=O)[nH]c3ccccc32)CCO1.I
InChIInChI=1S/C15H21N5O2.HI/c1-11-10-19(8-9-22-11)14(16)17-6-7-20-13-5-3-2-4-12(13)18-15(20)21;/h2-5,11H,6-10H2,1H3,(H2,16,17)(H,18,21);1H
InChIKeyKSZBTLLRNIRSJQ-UHFFFAOYSA-N
MW431.28 g/mol
LogP0.98
Rot. Bonds3

About 2-methyl-N'-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide

2-methyl-N'-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 120661795) has the molecular formula C15H22IN5O2 and a molecular weight of 431.28 g/mol. Its IUPAC name is 2-methyl-N'-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound Name2-methyl-N'-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID120661795
Molecular FormulaC15H22IN5O2
Molecular Weight431.28 g/mol
Exact Mass431.08
IUPAC Name2-methyl-N'-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/CCn2c(=O)[nH]c3ccccc32)CCO1.I
InChIInChI=1S/C15H21N5O2.HI/c1-11-10-19(8-9-22-11)14(16)17-6-7-20-13-5-3-2-4-12(13)18-15(20)21;/h2-5,11H,6-10H2,1H3,(H2,16,17)(H,18,21);1H
InChIKeyKSZBTLLRNIRSJQ-UHFFFAOYSA-N
XLogP0.98
TPSA88.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-N'-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide 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

3-methyl-N'-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]piperidine-1-carboximidamide
CID 111824839
1-cyclopropyl-1-methyl-2-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine
CID 110031501
N'-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111824823
2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide
CID 166222802
2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661211
N'-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylmorpholine-4-carboximidamide
CID 120662286
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine;hydroiodide
CID 119151942
2-methyl-N'-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661263
2-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboximidamide
CID 120661644
3-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one
CID 70772986
2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
CID 120661161
N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661618

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of 2-methyl-N'-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide (CID 120661795) is 2-methyl-N'-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for 2-methyl-N'-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for 2-methyl-N'-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide is CC1CN(/C(N)=N/CCn2c(=O)[nH]c3ccccc32)CCO1.I.
What is the InChIKey of 2-methyl-N'-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is KSZBTLLRNIRSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2.HI/c1-11-10-19(8-9-22-11)14(16)17-6-7-20-13-5-3-2-4-12(13)18-15(20)21;/h2-5,11H,6-10H2,1H3,(H2,16,17)(H,18,21);1H.
What are the key properties of 2-methyl-N'-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide?
2-methyl-N'-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 431.28 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120661795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).