1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide

C21H27BrN4O — CID 163329418

IUPAC1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\n(CCc2ccccc2)c2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C21H26N4O.BrH/c22-21-24(11-10-18-6-2-1-3-7-18)19-8-4-5-9-20(19)25(21)13-12-23-14-16-26-17-15-23;/h1-9,22H,10-17H2;1H/b22-21+;
InChIKeyPIAYFSCSNTUUKI-QUABFQRHSA-N
MW431.38 g/mol
LogP3.08
Rot. Bonds6

About 1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide

1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide (PubChem CID 163329418) has the molecular formula C21H27BrN4O and a molecular weight of 431.38 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide
PubChem CID163329418
Molecular FormulaC21H27BrN4O
Molecular Weight431.38 g/mol
Exact Mass430.14
IUPAC Name1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\n(CCc2ccccc2)c2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C21H26N4O.BrH/c22-21-24(11-10-18-6-2-1-3-7-18)19-8-4-5-9-20(19)25(21)13-12-23-14-16-26-17-15-23;/h1-9,22H,10-17H2;1H/b22-21+;
InChIKeyPIAYFSCSNTUUKI-QUABFQRHSA-N
XLogP3.08
TPSA46.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)benzimidazol-2-imine;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

1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide
CID 2881509
methane;4-(2-phenylethyl)morpholine
CID 143698819
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
2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone
CID 1125264
(1R)-1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanol
CID 1111790
4-[2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]acetyl]benzonitrile;hydrobromide
CID 163331898
1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-imine
CID 1043068
hydron;1-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-3-(4-methylphenoxy)propan-2-ol;chloride
CID 655595
2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(3-nitrophenyl)ethanone bromide
CID 53352017
1-[[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]methyl]-3-propylbenzimidazol-2-imine
CID 70881475
2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-1-phenylethanol
CID 2868077

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide (CID 163329418) is 1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide is Br.[H]/N=c1\n(CCc2ccccc2)c2ccccc2n1CCN1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide?
The InChIKey is PIAYFSCSNTUUKI-QUABFQRHSA-N. The full InChI is InChI=1S/C21H26N4O.BrH/c22-21-24(11-10-18-6-2-1-3-7-18)19-8-4-5-9-20(19)25(21)13-12-23-14-16-26-17-15-23;/h1-9,22H,10-17H2;1H/b22-21+;.
What are the key properties of 1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide?
1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide has a molecular weight of 431.38 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide is sourced from PubChem (CID 163329418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).