N-[2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]ethyl]formamide;2-methoxy-2-methylpropane

C24H28BrN3O2 — CID 143994725

IUPACN-[2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]ethyl]formamide;2-methoxy-2-methylpropane
SMILESCOC(C)(C)C.O=CNCCC1(c2ccc(Br)cc2)c2ccccc2-c2nccn21
InChIInChI=1S/C19H16BrN3O.C5H12O/c20-15-7-5-14(6-8-15)19(9-10-21-13-24)17-4-2-1-3-16(17)18-22-11-12-23(18)19;1-5(2,3)6-4/h1-8,11-13H,9-10H2,(H,21,24);1-4H3
InChIKeyQVMCIAIQJQTELA-UHFFFAOYSA-N
MW470.41 g/mol
LogP4.99
Rot. Bonds5

About N-[2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]ethyl]formamide;2-methoxy-2-methylpropane

N-[2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]ethyl]formamide;2-methoxy-2-methylpropane (PubChem CID 143994725) has the molecular formula C24H28BrN3O2 and a molecular weight of 470.41 g/mol. Its IUPAC name is N-[2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]ethyl]formamide;2-methoxy-2-methylpropane.

Molecular Properties

Compound NameN-[2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]ethyl]formamide;2-methoxy-2-methylpropane
PubChem CID143994725
Molecular FormulaC24H28BrN3O2
Molecular Weight470.41 g/mol
Exact Mass469.14
IUPAC NameN-[2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]ethyl]formamide;2-methoxy-2-methylpropane
SMILESCOC(C)(C)C.O=CNCCC1(c2ccc(Br)cc2)c2ccccc2-c2nccn21
InChIInChI=1S/C19H16BrN3O.C5H12O/c20-15-7-5-14(6-8-15)19(9-10-21-13-24)17-4-2-1-3-16(17)18-22-11-12-23(18)19;1-5(2,3)6-4/h1-8,11-13H,9-10H2,(H,21,24);1-4H3
InChIKeyQVMCIAIQJQTELA-UHFFFAOYSA-N
XLogP4.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.41
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-Bromophenyl)-5-(cyclopentylmethyl)imidazo[2,1-a]isoindole
CID 46205607
5-(4-Bromophenyl)-5-(cyclohexylmethyl)imidazo[2,1-a]isoindole
CID 46205608
5-benzyl-5-(4-bromophenyl)-5H-imidazo[2,1-a]isoindole
CID 46206599
5-(4-Bromophenyl)-5-[2-(oxan-4-yl)ethyl]imidazo[2,1-a]isoindole
CID 56659483
5-(4-Bromophenyl)-5-(oxan-4-ylmethyl)imidazo[2,1-a]isoindole
CID 56676652
5-Benzyl-5-(3-bromophenyl)imidazo[2,1-a]isoindole
CID 56679981
2-[5-(4-Bromophenyl)imidazo[1,2-b]isoindol-5-yl]-1-(3,3-difluoropyrrolidin-1-yl)ethanone
CID 46203347
2-[5-(4-Bromophenyl)imidazo[1,2-b]isoindol-5-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone
CID 58415412
2-[5-(4-Bromophenyl)imidazo[1,2-b]isoindol-5-yl]-1-(4-fluoropiperidin-1-yl)ethanone
CID 58415413
3-[5-(4-Bromophenyl)imidazo[1,2-b]isoindol-5-yl]-1-(4,4-difluoropiperidin-1-yl)propan-1-one
CID 58415501
3-[5-(4-Bromophenyl)imidazo[1,2-b]isoindol-5-yl]-1-(3,3-difluoropiperidin-1-yl)propan-1-one
CID 58415527
3-[5-(4-Bromophenyl)imidazo[1,2-b]isoindol-5-yl]-1-(3-fluoropiperidin-1-yl)propan-1-one
CID 58415554

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]ethyl]formamide;2-methoxy-2-methylpropane?
The IUPAC name of N-[2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]ethyl]formamide;2-methoxy-2-methylpropane (CID 143994725) is N-[2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]ethyl]formamide;2-methoxy-2-methylpropane.
What is the SMILES notation for N-[2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]ethyl]formamide;2-methoxy-2-methylpropane?
The canonical SMILES for N-[2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]ethyl]formamide;2-methoxy-2-methylpropane is COC(C)(C)C.O=CNCCC1(c2ccc(Br)cc2)c2ccccc2-c2nccn21.
What is the InChIKey of N-[2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]ethyl]formamide;2-methoxy-2-methylpropane?
The InChIKey is QVMCIAIQJQTELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O.C5H12O/c20-15-7-5-14(6-8-15)19(9-10-21-13-24)17-4-2-1-3-16(17)18-22-11-12-23(18)19;1-5(2,3)6-4/h1-8,11-13H,9-10H2,(H,21,24);1-4H3.
What are the key properties of N-[2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]ethyl]formamide;2-methoxy-2-methylpropane?
N-[2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]ethyl]formamide;2-methoxy-2-methylpropane has a molecular weight of 470.41 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]ethyl]formamide;2-methoxy-2-methylpropane is sourced from PubChem (CID 143994725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).