1-[2-(4-bromophenoxy)benzimidazol-1-yl]propan-2-one

C16H13BrN2O2 — CID 66728095

IUPAC1-[2-(4-bromophenoxy)benzimidazol-1-yl]propan-2-one
SMILESCC(=O)Cn1c(Oc2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C16H13BrN2O2/c1-11(20)10-19-15-5-3-2-4-14(15)18-16(19)21-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3
InChIKeyJUCGQNXTVGEVCJ-UHFFFAOYSA-N
MW345.20 g/mol
LogP4.18
Rot. Bonds4

About 1-[2-(4-bromophenoxy)benzimidazol-1-yl]propan-2-one

1-[2-(4-bromophenoxy)benzimidazol-1-yl]propan-2-one (PubChem CID 66728095) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)benzimidazol-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)benzimidazol-1-yl]propan-2-one
PubChem CID66728095
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name1-[2-(4-bromophenoxy)benzimidazol-1-yl]propan-2-one
SMILESCC(=O)Cn1c(Oc2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C16H13BrN2O2/c1-11(20)10-19-15-5-3-2-4-14(15)18-16(19)21-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3
InChIKeyJUCGQNXTVGEVCJ-UHFFFAOYSA-N
XLogP4.18
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17033250
N-[1-[1-[3-(4-bromophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]acetamide
CID 42944370
2-(4-bromophenoxy)-1-(2-ethylbenzimidazol-1-yl)ethanone
CID 23938133
2-[(2S)-1-(4-bromophenoxy)propan-2-yl]oxy-1-methylbenzimidazole
CID 143895104
2-(4-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 55687355
2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid
CID 22683022
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976701
2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-ethylacetamide
CID 17033254
2-[2-(4-bromoanilino)benzimidazol-1-yl]acetic acid
CID 119027105
[1-(methoxymethyl)benzimidazol-2-yl]carbamic acid
CID 156529117
4-bromo-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide
CID 17009142
4-bromo-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17009267

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenoxy)benzimidazol-1-yl]propan-2-one?
The IUPAC name of 1-[2-(4-bromophenoxy)benzimidazol-1-yl]propan-2-one (CID 66728095) is 1-[2-(4-bromophenoxy)benzimidazol-1-yl]propan-2-one.
What is the SMILES notation for 1-[2-(4-bromophenoxy)benzimidazol-1-yl]propan-2-one?
The canonical SMILES for 1-[2-(4-bromophenoxy)benzimidazol-1-yl]propan-2-one is CC(=O)Cn1c(Oc2ccc(Br)cc2)nc2ccccc21.
What is the InChIKey of 1-[2-(4-bromophenoxy)benzimidazol-1-yl]propan-2-one?
The InChIKey is JUCGQNXTVGEVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-11(20)10-19-15-5-3-2-4-14(15)18-16(19)21-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3.
What are the key properties of 1-[2-(4-bromophenoxy)benzimidazol-1-yl]propan-2-one?
1-[2-(4-bromophenoxy)benzimidazol-1-yl]propan-2-one has a molecular weight of 345.20 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenoxy)benzimidazol-1-yl]propan-2-one is sourced from PubChem (CID 66728095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).