2-[(2S)-1-(4-bromophenoxy)propan-2-yl]oxy-1-methylbenzimidazole

C17H17BrN2O2 — CID 143895104

IUPAC2-[(2S)-1-(4-bromophenoxy)propan-2-yl]oxy-1-methylbenzimidazole
SMILESC[C@@H](COc1ccc(Br)cc1)Oc1nc2ccccc2n1C
InChIInChI=1S/C17H17BrN2O2/c1-12(11-21-14-9-7-13(18)8-10-14)22-17-19-15-5-3-4-6-16(15)20(17)2/h3-10,12H,11H2,1-2H3/t12-/m0/s1
InChIKeySVAPIXGLWLGBGU-LBPRGKRZSA-N
MW361.24 g/mol
LogP4.18
Rot. Bonds5

About 2-[(2S)-1-(4-bromophenoxy)propan-2-yl]oxy-1-methylbenzimidazole

2-[(2S)-1-(4-bromophenoxy)propan-2-yl]oxy-1-methylbenzimidazole (PubChem CID 143895104) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 2-[(2S)-1-(4-bromophenoxy)propan-2-yl]oxy-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[(2S)-1-(4-bromophenoxy)propan-2-yl]oxy-1-methylbenzimidazole
PubChem CID143895104
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name2-[(2S)-1-(4-bromophenoxy)propan-2-yl]oxy-1-methylbenzimidazole
SMILESC[C@@H](COc1ccc(Br)cc1)Oc1nc2ccccc2n1C
InChIInChI=1S/C17H17BrN2O2/c1-12(11-21-14-9-7-13(18)8-10-14)22-17-19-15-5-3-4-6-16(15)20(17)2/h3-10,12H,11H2,1-2H3/t12-/m0/s1
InChIKeySVAPIXGLWLGBGU-LBPRGKRZSA-N
XLogP4.18
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-methylbenzimidazole;propane
CID 160678842
1-[2-(4-bromophenoxy)benzimidazol-1-yl]propan-2-one
CID 66728095
N-[1-[1-[3-(4-bromophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]acetamide
CID 42944370
1-[3-(4-bromophenoxy)propyl]benzimidazol-2-amine
CID 2990608
1-(1-methylbenzimidazol-2-yl)-3-phenoxypropan-2-ol
CID 79755905
(1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine
CID 78921225
4-bromo-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43194560
1-(4-bromophenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 172933936
2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 17001216
2-(4-bromophenyl)-1-[3-(4-butan-2-ylphenoxy)propyl]benzimidazole
CID 17001214
1-(4-bromophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79753790
(Z)-2-(1-methylbenzimidazol-2-yl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enenitrile
CID 110537054

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(4-bromophenoxy)propan-2-yl]oxy-1-methylbenzimidazole?
The IUPAC name of 2-[(2S)-1-(4-bromophenoxy)propan-2-yl]oxy-1-methylbenzimidazole (CID 143895104) is 2-[(2S)-1-(4-bromophenoxy)propan-2-yl]oxy-1-methylbenzimidazole.
What is the SMILES notation for 2-[(2S)-1-(4-bromophenoxy)propan-2-yl]oxy-1-methylbenzimidazole?
The canonical SMILES for 2-[(2S)-1-(4-bromophenoxy)propan-2-yl]oxy-1-methylbenzimidazole is C[C@@H](COc1ccc(Br)cc1)Oc1nc2ccccc2n1C.
What is the InChIKey of 2-[(2S)-1-(4-bromophenoxy)propan-2-yl]oxy-1-methylbenzimidazole?
The InChIKey is SVAPIXGLWLGBGU-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-12(11-21-14-9-7-13(18)8-10-14)22-17-19-15-5-3-4-6-16(15)20(17)2/h3-10,12H,11H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-[(2S)-1-(4-bromophenoxy)propan-2-yl]oxy-1-methylbenzimidazole?
2-[(2S)-1-(4-bromophenoxy)propan-2-yl]oxy-1-methylbenzimidazole has a molecular weight of 361.24 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(4-bromophenoxy)propan-2-yl]oxy-1-methylbenzimidazole is sourced from PubChem (CID 143895104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).