4-[2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]acetyl]benzonitrile;hydrobromide

C22H24BrN5O2 — CID 163331898

IUPAC4-[2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]acetyl]benzonitrile;hydrobromide
SMILESBr.[H]/N=c1\n(CCN2CCOCC2)c2ccccc2n1CC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C22H23N5O2.BrH/c23-15-17-5-7-18(8-6-17)21(28)16-27-20-4-2-1-3-19(20)26(22(27)24)10-9-25-11-13-29-14-12-25;/h1-8,24H,9-14,16H2;1H/b24-22+;
InChIKeyXMVBTBSKKYWYRK-HDPAMLMOSA-N
MW470.37 g/mol
LogP2.59
Rot. Bonds6

About 4-[2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]acetyl]benzonitrile;hydrobromide

4-[2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]acetyl]benzonitrile;hydrobromide (PubChem CID 163331898) has the molecular formula C22H24BrN5O2 and a molecular weight of 470.37 g/mol. Its IUPAC name is 4-[2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]acetyl]benzonitrile;hydrobromide.

Molecular Properties

Compound Name4-[2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]acetyl]benzonitrile;hydrobromide
PubChem CID163331898
Molecular FormulaC22H24BrN5O2
Molecular Weight470.37 g/mol
Exact Mass469.11
IUPAC Name4-[2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]acetyl]benzonitrile;hydrobromide
SMILESBr.[H]/N=c1\n(CCN2CCOCC2)c2ccccc2n1CC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C22H23N5O2.BrH/c23-15-17-5-7-18(8-6-17)21(28)16-27-20-4-2-1-3-19(20)26(22(27)24)10-9-25-11-13-29-14-12-25;/h1-8,24H,9-14,16H2;1H/b24-22+;
InChIKeyXMVBTBSKKYWYRK-HDPAMLMOSA-N
XLogP2.59
TPSA87.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]acetyl]benzonitrile;hydrobromide 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

2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone
CID 1125264
1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide
CID 2881509
2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(3-nitrophenyl)ethanone bromide
CID 53352017
1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide
CID 163329418
4-[[2-[3-[2-(4-chlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]ethyl-methylamino]methyl]benzonitrile
CID 71178504
4-[2-(1,4-oxazepan-4-yl)acetyl]benzonitrile
CID 62973437
1-(3,4-dimethoxyphenyl)-2-[2-imino-3-(2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide
CID 44889168
1-[2-(4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine
CID 1259026
(2S)-1-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-3-phenoxypropan-2-ol
CID 1118371
methyl 2-[2-[2-imino-3-(2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetyl]benzoate;hydrobromide
CID 44889413
1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-methylbutan-2-one
CID 72550075
(1R)-1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanol
CID 1111790

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]acetyl]benzonitrile;hydrobromide?
The IUPAC name of 4-[2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]acetyl]benzonitrile;hydrobromide (CID 163331898) is 4-[2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]acetyl]benzonitrile;hydrobromide.
What is the SMILES notation for 4-[2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]acetyl]benzonitrile;hydrobromide?
The canonical SMILES for 4-[2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]acetyl]benzonitrile;hydrobromide is Br.[H]/N=c1\n(CCN2CCOCC2)c2ccccc2n1CC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-[2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]acetyl]benzonitrile;hydrobromide?
The InChIKey is XMVBTBSKKYWYRK-HDPAMLMOSA-N. The full InChI is InChI=1S/C22H23N5O2.BrH/c23-15-17-5-7-18(8-6-17)21(28)16-27-20-4-2-1-3-19(20)26(22(27)24)10-9-25-11-13-29-14-12-25;/h1-8,24H,9-14,16H2;1H/b24-22+;.
What are the key properties of 4-[2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]acetyl]benzonitrile;hydrobromide?
4-[2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]acetyl]benzonitrile;hydrobromide has a molecular weight of 470.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]acetyl]benzonitrile;hydrobromide is sourced from PubChem (CID 163331898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).