2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone

C22H26N4O2 — CID 1125264

IUPAC2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone
SMILES[H]/N=c1\n(CCN2CCOCC2)c2ccccc2n1CC(=O)c1ccc(C)cc1
InChIInChI=1S/C22H26N4O2/c1-17-6-8-18(9-7-17)21(27)16-26-20-5-3-2-4-19(20)25(22(26)23)11-10-24-12-14-28-15-13-24/h2-9,23H,10-16H2,1H3/b23-22+
InChIKeyYFEMIWJTKMVRCA-GHVJWSGMSA-N
MW378.48 g/mol
LogP2.45
Rot. Bonds6

About 2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone

2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone (PubChem CID 1125264) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone
PubChem CID1125264
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone
SMILES[H]/N=c1\n(CCN2CCOCC2)c2ccccc2n1CC(=O)c1ccc(C)cc1
InChIInChI=1S/C22H26N4O2/c1-17-6-8-18(9-7-17)21(27)16-26-20-5-3-2-4-19(20)25(22(26)23)11-10-24-12-14-28-15-13-24/h2-9,23H,10-16H2,1H3/b23-22+
InChIKeyYFEMIWJTKMVRCA-GHVJWSGMSA-N
XLogP2.45
TPSA63.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]acetyl]benzonitrile;hydrobromide
CID 163331898
1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide
CID 2881509
1-[2-(4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine
CID 1259026
2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(3-nitrophenyl)ethanone bromide
CID 53352017
2-(3-amino-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanone;hydrobromide
CID 23724302
1-(3,4-dimethoxyphenyl)-2-[2-imino-3-(2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide
CID 44889168
hydron;1-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-3-(4-methylphenoxy)propan-2-ol;chloride
CID 655595
1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide
CID 163329418
1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-methylbutan-2-one
CID 72550075
2-[2-amino-3-(2-morpholin-4-ylethyl)benzimidazol-1-ium-1-yl]-1-(4-methylphenyl)ethanone bromide
CID 51062841
1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone
CID 86579058
methyl 2-[2-[2-imino-3-(2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetyl]benzoate;hydrobromide
CID 44889413

Frequently Asked Questions

What is the IUPAC name of 2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone (CID 1125264) is 2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone is [H]/N=c1\n(CCN2CCOCC2)c2ccccc2n1CC(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone?
The InChIKey is YFEMIWJTKMVRCA-GHVJWSGMSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-17-6-8-18(9-7-17)21(27)16-26-20-5-3-2-4-19(20)25(22(26)23)11-10-24-12-14-28-15-13-24/h2-9,23H,10-16H2,1H3/b23-22+.
What are the key properties of 2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone?
2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone has a molecular weight of 378.48 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 1125264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).