1-[2-(4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine

C22H28N4O2 — CID 1259026

IUPAC1-[2-(4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine
SMILES[H]/N=c1\n(CCOc2ccc(C)cc2)c2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C22H28N4O2/c1-18-6-8-19(9-7-18)28-17-14-26-21-5-3-2-4-20(21)25(22(26)23)11-10-24-12-15-27-16-13-24/h2-9,23H,10-17H2,1H3/b23-22-
InChIKeyQDHIWXKIMXFZKE-FCQUAONHSA-N
MW380.49 g/mol
LogP2.64
Rot. Bonds7

About 1-[2-(4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine

1-[2-(4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine (PubChem CID 1259026) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[2-(4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine.

Molecular Properties

Compound Name1-[2-(4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine
PubChem CID1259026
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-[2-(4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine
SMILES[H]/N=c1\n(CCOc2ccc(C)cc2)c2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C22H28N4O2/c1-18-6-8-19(9-7-18)28-17-14-26-21-5-3-2-4-20(21)25(22(26)23)11-10-24-12-15-27-16-13-24/h2-9,23H,10-17H2,1H3/b23-22-
InChIKeyQDHIWXKIMXFZKE-FCQUAONHSA-N
XLogP2.64
TPSA55.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine 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

hydron;1-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-3-(4-methylphenoxy)propan-2-ol;chloride
CID 655595
1-[2-(4-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3356244
1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-imine
CID 1043068
2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone
CID 1125264
1-[(4-methylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine
CID 1112929
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
1-[2-(4-methylphenoxy)ethyl]-3-propan-2-ylbenzimidazol-2-imine
CID 949113
(2S)-1-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-3-phenoxypropan-2-ol
CID 1118371
1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide
CID 163329418
1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine
CID 762258
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3778765

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine?
The IUPAC name of 1-[2-(4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine (CID 1259026) is 1-[2-(4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine.
What is the SMILES notation for 1-[2-(4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine?
The canonical SMILES for 1-[2-(4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine is [H]/N=c1\n(CCOc2ccc(C)cc2)c2ccccc2n1CCN1CCOCC1.
What is the InChIKey of 1-[2-(4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine?
The InChIKey is QDHIWXKIMXFZKE-FCQUAONHSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-18-6-8-19(9-7-18)28-17-14-26-21-5-3-2-4-20(21)25(22(26)23)11-10-24-12-15-27-16-13-24/h2-9,23H,10-17H2,1H3/b23-22-.
What are the key properties of 1-[2-(4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine?
1-[2-(4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine has a molecular weight of 380.49 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine is sourced from PubChem (CID 1259026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).