5-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole

C20H20BrN3 — CID 82561954

IUPAC5-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole
SMILESCN1CCc2cc(Cc3nccn3Cc3ccc(Br)cc3)ccc21
InChIInChI=1S/C20H20BrN3/c1-23-10-8-17-12-16(4-7-19(17)23)13-20-22-9-11-24(20)14-15-2-5-18(21)6-3-15/h2-7,9,11-12H,8,10,13-14H2,1H3
InChIKeyYIOVJEOWRJDLOV-UHFFFAOYSA-N
MW382.31 g/mol
LogP4.28
Rot. Bonds4

About 5-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole

5-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole (PubChem CID 82561954) has the molecular formula C20H20BrN3 and a molecular weight of 382.31 g/mol. Its IUPAC name is 5-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name5-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole
PubChem CID82561954
Molecular FormulaC20H20BrN3
Molecular Weight382.31 g/mol
Exact Mass381.08
IUPAC Name5-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole
SMILESCN1CCc2cc(Cc3nccn3Cc3ccc(Br)cc3)ccc21
InChIInChI=1S/C20H20BrN3/c1-23-10-8-17-12-16(4-7-19(17)23)13-20-22-9-11-24(20)14-15-2-5-18(21)6-3-15/h2-7,9,11-12H,8,10,13-14H2,1H3
InChIKeyYIOVJEOWRJDLOV-UHFFFAOYSA-N
XLogP4.28
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole
CID 82561956
2-[(4-bromophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]imidazole
CID 82561862
5-bromo-1-methyl-2,3-dihydroindole
CID 19361435
[4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558174
2-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]pyridine
CID 82561910
4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560108
N-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 62222363
4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82558525
2-[(4-bromophenyl)methyl]-1-[(2,3,4-trifluorophenyl)methyl]imidazole
CID 82561855
1-methyl-5-propyl-2,3-dihydroindole
CID 89046240
2-[(3-bromo-5-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]imidazole
CID 82562006
[4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558528

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole?
The IUPAC name of 5-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole (CID 82561954) is 5-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole.
What is the SMILES notation for 5-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole?
The canonical SMILES for 5-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole is CN1CCc2cc(Cc3nccn3Cc3ccc(Br)cc3)ccc21.
What is the InChIKey of 5-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole?
The InChIKey is YIOVJEOWRJDLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3/c1-23-10-8-17-12-16(4-7-19(17)23)13-20-22-9-11-24(20)14-15-2-5-18(21)6-3-15/h2-7,9,11-12H,8,10,13-14H2,1H3.
What are the key properties of 5-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole?
5-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole has a molecular weight of 382.31 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]-1-methyl-2,3-dihydroindole is sourced from PubChem (CID 82561954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).