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

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).