4-bromo-2,5-di(propan-2-yl)-1H-benzimidazole;4-bromo-2,6-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,5-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole;4-fluoro-2,5-di(propan-2-yl)-1H-benzimidazole;4-fluoro-2,6-di(propan-2-yl)-1H-benzimidazole;4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole;pentakis(6-methyl-2,5-di(propan-2-yl)-1H-benzimidazole)

C189H257Br2Cl2F5N28O — CID 165093379

IUPAC4-bromo-2,5-di(propan-2-yl)-1H-benzimidazole;4-bromo-2,6-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,5-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole;4-fluoro-2,5-di(propan-2-yl)-1H-benzimidazole;4-fluoro-2,6-di(propan-2-yl)-1H-benzimidazole;4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole;pentakis(6-methyl-2,5-di(propan-2-yl)-1H-benzimidazole)
SMILESCC(C)c1cc(Br)c2nc(C(C)C)[nH]c2c1.CC(C)c1cc(C(F)(F)F)c2nc(C(C)C)[nH]c2c1.CC(C)c1cc(Cl)c2nc(C(C)C)[nH]c2c1.CC(C)c1cc(F)c2nc(C(C)C)[nH]c2c1.CC(C)c1ccc2nc(C(C)C)[nH]c2c1.CC(C)c1nc2c(Br)c(C(C)C)ccc2[nH]1.CC(C)c1nc2c(Cl)c(C(C)C)ccc2[nH]1.CC(C)c1nc2c(F)c(C(C)C)ccc2[nH]1.COc1cc(C(C)C)cc2[nH]c(C(C)C)nc12.Cc1cc2[nH]c(C(C)C)nc2cc1C(C)C.Cc1cc2[nH]c(C(C)C)nc2cc1C(C)C.Cc1cc2[nH]c(C(C)C)nc2cc1C(C)C.Cc1cc2[nH]c(C(C)C)nc2cc1C(C)C.Cc1cc2[nH]c(C(C)C)nc2cc1C(C)C
InChIInChI=1S/C14H17F3N2.C14H20N2O.5C14H20N2.2C13H17BrN2.2C13H17ClN2.2C13H17FN2.C13H18N2/c1-7(2)9-5-10(14(15,16)17)12-11(6-9)18-13(19-12)8(3)4;1-8(2)10-6-11-13(12(7-10)17-5)16-14(15-11)9(3)4;5*1-8(2)11-7-13-12(6-10(11)5)15-14(16-13)9(3)4;1-7(2)9-5-10(14)12-11(6-9)15-13(16-12)8(3)4;1-7(2)9-5-6-10-12(11(9)14)16-13(15-10)8(3)4;1-7(2)9-5-10(14)12-11(6-9)15-13(16-12)8(3)4;1-7(2)9-5-6-10-12(11(9)14)16-13(15-10)8(3)4;1-7(2)9-5-10(14)12-11(6-9)15-13(16-12)8(3)4;1-7(2)9-5-6-10-12(11(9)14)16-13(15-10)8(3)4;1-8(2)10-5-6-11-12(7-10)15-13(14-11)9(3)4/h5-8H,1-4H3,(H,18,19);6-9H,1-5H3,(H,15,16);5*6-9H,1-5H3,(H,15,16);6*5-8H,1-4H3,(H,15,16);5-9H,1-4H3,(H,14,15)
InChIKeyXCALMTXYRSDDOC-UHFFFAOYSA-N
MW3263.03 g/mol
LogP59.02
Rot. Bonds29

About 4-bromo-2,5-di(propan-2-yl)-1H-benzimidazole;4-bromo-2,6-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,5-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole;4-fluoro-2,5-di(propan-2-yl)-1H-benzimidazole;4-fluoro-2,6-di(propan-2-yl)-1H-benzimidazole;4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole;pentakis(6-methyl-2,5-di(propan-2-yl)-1H-benzimidazole)

4-bromo-2,5-di(propan-2-yl)-1H-benzimidazole;4-bromo-2,6-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,5-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole;4-fluoro-2,5-di(propan-2-yl)-1H-benzimidazole;4-fluoro-2,6-di(propan-2-yl)-1H-benzimidazole;4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole;pentakis(6-methyl-2,5-di(propan-2-yl)-1H-benzimidazole) (PubChem CID 165093379) has the molecular formula C189H257Br2Cl2F5N28O and a molecular weight of 3263.03 g/mol. Its IUPAC name is 4-bromo-2,5-di(propan-2-yl)-1H-benzimidazole;4-bromo-2,6-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,5-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole;4-fluoro-2,5-di(propan-2-yl)-1H-benzimidazole;4-fluoro-2,6-di(propan-2-yl)-1H-benzimidazole;4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole;pentakis(6-methyl-2,5-di(propan-2-yl)-1H-benzimidazole).

Molecular Properties

Compound Name4-bromo-2,5-di(propan-2-yl)-1H-benzimidazole;4-bromo-2,6-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,5-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole;4-fluoro-2,5-di(propan-2-yl)-1H-benzimidazole;4-fluoro-2,6-di(propan-2-yl)-1H-benzimidazole;4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole;pentakis(6-methyl-2,5-di(propan-2-yl)-1H-benzimidazole)
PubChem CID165093379
Molecular FormulaC189H257Br2Cl2F5N28O
Molecular Weight3263.03 g/mol
Exact Mass3257.86
IUPAC Name4-bromo-2,5-di(propan-2-yl)-1H-benzimidazole;4-bromo-2,6-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,5-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole;4-fluoro-2,5-di(propan-2-yl)-1H-benzimidazole;4-fluoro-2,6-di(propan-2-yl)-1H-benzimidazole;4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole;pentakis(6-methyl-2,5-di(propan-2-yl)-1H-benzimidazole)
SMILESCC(C)c1cc(Br)c2nc(C(C)C)[nH]c2c1.CC(C)c1cc(C(F)(F)F)c2nc(C(C)C)[nH]c2c1.CC(C)c1cc(Cl)c2nc(C(C)C)[nH]c2c1.CC(C)c1cc(F)c2nc(C(C)C)[nH]c2c1.CC(C)c1ccc2nc(C(C)C)[nH]c2c1.CC(C)c1nc2c(Br)c(C(C)C)ccc2[nH]1.CC(C)c1nc2c(Cl)c(C(C)C)ccc2[nH]1.CC(C)c1nc2c(F)c(C(C)C)ccc2[nH]1.COc1cc(C(C)C)cc2[nH]c(C(C)C)nc12.Cc1cc2[nH]c(C(C)C)nc2cc1C(C)C.Cc1cc2[nH]c(C(C)C)nc2cc1C(C)C.Cc1cc2[nH]c(C(C)C)nc2cc1C(C)C.Cc1cc2[nH]c(C(C)C)nc2cc1C(C)C.Cc1cc2[nH]c(C(C)C)nc2cc1C(C)C
InChIInChI=1S/C14H17F3N2.C14H20N2O.5C14H20N2.2C13H17BrN2.2C13H17ClN2.2C13H17FN2.C13H18N2/c1-7(2)9-5-10(14(15,16)17)12-11(6-9)18-13(19-12)8(3)4;1-8(2)10-6-11-13(12(7-10)17-5)16-14(15-11)9(3)4;5*1-8(2)11-7-13-12(6-10(11)5)15-14(16-13)9(3)4;1-7(2)9-5-10(14)12-11(6-9)15-13(16-12)8(3)4;1-7(2)9-5-6-10-12(11(9)14)16-13(15-10)8(3)4;1-7(2)9-5-10(14)12-11(6-9)15-13(16-12)8(3)4;1-7(2)9-5-6-10-12(11(9)14)16-13(15-10)8(3)4;1-7(2)9-5-10(14)12-11(6-9)15-13(16-12)8(3)4;1-7(2)9-5-6-10-12(11(9)14)16-13(15-10)8(3)4;1-8(2)10-5-6-11-12(7-10)15-13(14-11)9(3)4/h5-8H,1-4H3,(H,18,19);6-9H,1-5H3,(H,15,16);5*6-9H,1-5H3,(H,15,16);6*5-8H,1-4H3,(H,15,16);5-9H,1-4H3,(H,14,15)
InChIKeyXCALMTXYRSDDOC-UHFFFAOYSA-N
XLogP59.02
TPSA410.75 Ų
H-Bond Donors14
H-Bond Acceptors15
Rotatable Bonds29
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003263.03
LogP ≤ 559.02
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1015

Analyze 4-bromo-2,5-di(propan-2-yl)-1H-benzimidazole;4-bromo-2,6-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,5-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole;4-fluoro-2,5-di(propan-2-yl)-1H-benzimidazole;4-fluoro-2,6-di(propan-2-yl)-1H-benzimidazole;4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole;pentakis(6-methyl-2,5-di(propan-2-yl)-1H-benzimidazole) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,5-di(propan-2-yl)-1H-benzimidazole;4-bromo-2,6-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,5-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole;4-fluoro-2,5-di(propan-2-yl)-1H-benzimidazole;4-fluoro-2,6-di(propan-2-yl)-1H-benzimidazole;4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole;pentakis(6-methyl-2,5-di(propan-2-yl)-1H-benzimidazole)?
The IUPAC name of 4-bromo-2,5-di(propan-2-yl)-1H-benzimidazole;4-bromo-2,6-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,5-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole;4-fluoro-2,5-di(propan-2-yl)-1H-benzimidazole;4-fluoro-2,6-di(propan-2-yl)-1H-benzimidazole;4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole;pentakis(6-methyl-2,5-di(propan-2-yl)-1H-benzimidazole) (CID 165093379) is 4-bromo-2,5-di(propan-2-yl)-1H-benzimidazole;4-bromo-2,6-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,5-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole;4-fluoro-2,5-di(propan-2-yl)-1H-benzimidazole;4-fluoro-2,6-di(propan-2-yl)-1H-benzimidazole;4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole;pentakis(6-methyl-2,5-di(propan-2-yl)-1H-benzimidazole).
What is the SMILES notation for 4-bromo-2,5-di(propan-2-yl)-1H-benzimidazole;4-bromo-2,6-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,5-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole;4-fluoro-2,5-di(propan-2-yl)-1H-benzimidazole;4-fluoro-2,6-di(propan-2-yl)-1H-benzimidazole;4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole;pentakis(6-methyl-2,5-di(propan-2-yl)-1H-benzimidazole)?
The canonical SMILES for 4-bromo-2,5-di(propan-2-yl)-1H-benzimidazole;4-bromo-2,6-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,5-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole;4-fluoro-2,5-di(propan-2-yl)-1H-benzimidazole;4-fluoro-2,6-di(propan-2-yl)-1H-benzimidazole;4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole;pentakis(6-methyl-2,5-di(propan-2-yl)-1H-benzimidazole) is CC(C)c1cc(Br)c2nc(C(C)C)[nH]c2c1.CC(C)c1cc(C(F)(F)F)c2nc(C(C)C)[nH]c2c1.CC(C)c1cc(Cl)c2nc(C(C)C)[nH]c2c1.CC(C)c1cc(F)c2nc(C(C)C)[nH]c2c1.CC(C)c1ccc2nc(C(C)C)[nH]c2c1.CC(C)c1nc2c(Br)c(C(C)C)ccc2[nH]1.CC(C)c1nc2c(Cl)c(C(C)C)ccc2[nH]1.CC(C)c1nc2c(F)c(C(C)C)ccc2[nH]1.COc1cc(C(C)C)cc2[nH]c(C(C)C)nc12.Cc1cc2[nH]c(C(C)C)nc2cc1C(C)C.Cc1cc2[nH]c(C(C)C)nc2cc1C(C)C.Cc1cc2[nH]c(C(C)C)nc2cc1C(C)C.Cc1cc2[nH]c(C(C)C)nc2cc1C(C)C.Cc1cc2[nH]c(C(C)C)nc2cc1C(C)C.
What is the InChIKey of 4-bromo-2,5-di(propan-2-yl)-1H-benzimidazole;4-bromo-2,6-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,5-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole;4-fluoro-2,5-di(propan-2-yl)-1H-benzimidazole;4-fluoro-2,6-di(propan-2-yl)-1H-benzimidazole;4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole;pentakis(6-methyl-2,5-di(propan-2-yl)-1H-benzimidazole)?
The InChIKey is XCALMTXYRSDDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2.C14H20N2O.5C14H20N2.2C13H17BrN2.2C13H17ClN2.2C13H17FN2.C13H18N2/c1-7(2)9-5-10(14(15,16)17)12-11(6-9)18-13(19-12)8(3)4;1-8(2)10-6-11-13(12(7-10)17-5)16-14(15-11)9(3)4;5*1-8(2)11-7-13-12(6-10(11)5)15-14(16-13)9(3)4;1-7(2)9-5-10(14)12-11(6-9)15-13(16-12)8(3)4;1-7(2)9-5-6-10-12(11(9)14)16-13(15-10)8(3)4;1-7(2)9-5-10(14)12-11(6-9)15-13(16-12)8(3)4;1-7(2)9-5-6-10-12(11(9)14)16-13(15-10)8(3)4;1-7(2)9-5-10(14)12-11(6-9)15-13(16-12)8(3)4;1-7(2)9-5-6-10-12(11(9)14)16-13(15-10)8(3)4;1-8(2)10-5-6-11-12(7-10)15-13(14-11)9(3)4/h5-8H,1-4H3,(H,18,19);6-9H,1-5H3,(H,15,16);5*6-9H,1-5H3,(H,15,16);6*5-8H,1-4H3,(H,15,16);5-9H,1-4H3,(H,14,15).
What are the key properties of 4-bromo-2,5-di(propan-2-yl)-1H-benzimidazole;4-bromo-2,6-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,5-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole;4-fluoro-2,5-di(propan-2-yl)-1H-benzimidazole;4-fluoro-2,6-di(propan-2-yl)-1H-benzimidazole;4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole;pentakis(6-methyl-2,5-di(propan-2-yl)-1H-benzimidazole)?
4-bromo-2,5-di(propan-2-yl)-1H-benzimidazole;4-bromo-2,6-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,5-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole;4-fluoro-2,5-di(propan-2-yl)-1H-benzimidazole;4-fluoro-2,6-di(propan-2-yl)-1H-benzimidazole;4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole;pentakis(6-methyl-2,5-di(propan-2-yl)-1H-benzimidazole) has a molecular weight of 3263.03 g/mol, XLogP of 59.02, 29 rotatable bonds, 14 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,5-di(propan-2-yl)-1H-benzimidazole;4-bromo-2,6-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,5-di(propan-2-yl)-1H-benzimidazole;4-chloro-2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-1H-benzimidazole;2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole;4-fluoro-2,5-di(propan-2-yl)-1H-benzimidazole;4-fluoro-2,6-di(propan-2-yl)-1H-benzimidazole;4-methoxy-2,6-di(propan-2-yl)-1H-benzimidazole;pentakis(6-methyl-2,5-di(propan-2-yl)-1H-benzimidazole) is sourced from PubChem (CID 165093379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).