[2-(4-bromophenyl)benzimidazol-1-yl] tert-butyl carbonate

C18H17BrN2O3 — CID 68738262

IUPAC[2-(4-bromophenyl)benzimidazol-1-yl] tert-butyl carbonate
SMILESCC(C)(C)OC(=O)On1c(-c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C18H17BrN2O3/c1-18(2,3)23-17(22)24-21-15-7-5-4-6-14(15)20-16(21)12-8-10-13(19)11-9-12/h4-11H,1-3H3
InChIKeyBFAYQADZUGPCGC-UHFFFAOYSA-N
MW389.25 g/mol
LogP4.83
Rot. Bonds2

About [2-(4-bromophenyl)benzimidazol-1-yl] tert-butyl carbonate

[2-(4-bromophenyl)benzimidazol-1-yl] tert-butyl carbonate (PubChem CID 68738262) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is [2-(4-bromophenyl)benzimidazol-1-yl] tert-butyl carbonate.

Molecular Properties

Compound Name[2-(4-bromophenyl)benzimidazol-1-yl] tert-butyl carbonate
PubChem CID68738262
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name[2-(4-bromophenyl)benzimidazol-1-yl] tert-butyl carbonate
SMILESCC(C)(C)OC(=O)On1c(-c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C18H17BrN2O3/c1-18(2,3)23-17(22)24-21-15-7-5-4-6-14(15)20-16(21)12-8-10-13(19)11-9-12/h4-11H,1-3H3
InChIKeyBFAYQADZUGPCGC-UHFFFAOYSA-N
XLogP4.83
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl [4-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]benzimidazol-1-yl]methyl]phenyl] carbonate
CID 71507572
tert-butyl indazol-1-yl carbonate
CID 68841004
1-(4-bromophenyl)-3-[2-(4-tert-butylphenyl)benzimidazol-1-yl]propan-1-one
CID 84571654
2-(4-bromophenyl)-1-pentylbenzimidazole
CID 17001128
2-(4-bromophenyl)-1-decylbenzimidazole
CID 17001133
2-(4-bromophenyl)-1-undecylbenzimidazole
CID 17001134
2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-ethylacetamide
CID 17033254
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
[2-(4-bromophenyl)-4-oxoquinazolin-3-yl] (E)-3-phenylprop-2-enoate
CID 46498300
2-(2-phenylbenzimidazol-1-yl)oxyacetic acid
CID 1483105
1-(4-bromophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134817006
tert-butyl (2,5-dihydroxypyrrol-1-yl) carbonate
CID 54472893

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)benzimidazol-1-yl] tert-butyl carbonate?
The IUPAC name of [2-(4-bromophenyl)benzimidazol-1-yl] tert-butyl carbonate (CID 68738262) is [2-(4-bromophenyl)benzimidazol-1-yl] tert-butyl carbonate.
What is the SMILES notation for [2-(4-bromophenyl)benzimidazol-1-yl] tert-butyl carbonate?
The canonical SMILES for [2-(4-bromophenyl)benzimidazol-1-yl] tert-butyl carbonate is CC(C)(C)OC(=O)On1c(-c2ccc(Br)cc2)nc2ccccc21.
What is the InChIKey of [2-(4-bromophenyl)benzimidazol-1-yl] tert-butyl carbonate?
The InChIKey is BFAYQADZUGPCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c1-18(2,3)23-17(22)24-21-15-7-5-4-6-14(15)20-16(21)12-8-10-13(19)11-9-12/h4-11H,1-3H3.
What are the key properties of [2-(4-bromophenyl)benzimidazol-1-yl] tert-butyl carbonate?
[2-(4-bromophenyl)benzimidazol-1-yl] tert-butyl carbonate has a molecular weight of 389.25 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)benzimidazol-1-yl] tert-butyl carbonate is sourced from PubChem (CID 68738262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).