1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol

C17H16BrN3O — CID 659680

IUPAC1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol
SMILESOC(CN1C2=NCCN2c2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C17H16BrN3O/c18-13-7-5-12(6-8-13)16(22)11-21-15-4-2-1-3-14(15)20-10-9-19-17(20)21/h1-8,16,22H,9-11H2
InChIKeyOKYHNGDIQZEBJE-UHFFFAOYSA-N
MW358.24 g/mol
LogP3.18
Rot. Bonds3

About 1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol

1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol (PubChem CID 659680) has the molecular formula C17H16BrN3O and a molecular weight of 358.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol
PubChem CID659680
Molecular FormulaC17H16BrN3O
Molecular Weight358.24 g/mol
Exact Mass357.05
IUPAC Name1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol
SMILESOC(CN1C2=NCCN2c2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C17H16BrN3O/c18-13-7-5-12(6-8-13)16(22)11-21-15-4-2-1-3-14(15)20-10-9-19-17(20)21/h1-8,16,22H,9-11H2
InChIKeyOKYHNGDIQZEBJE-UHFFFAOYSA-N
XLogP3.18
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-2-(2-imino-3-(2-(piperidin-1-yl)ethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanol hydrochloride
CID 2921451
9-(2-HYDROXY-2-PHENYLETHYL)-2,3-DIHYDROIMIDAZO[1,2-a]BENZIMIDAZOLE HYDROCHLORIDE
CID 2900011
1-(4-bromophenyl)-2-(3-butyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanol hydrochloride
CID 45488417
2-(3-benzyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-(4-bromophenyl)ethanol hydrochloride
CID 45488453
2-(2-imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-yl)-1-phenylethanol hydrochloride
CID 2868447
2-(2H-benzo[d]imidazo[1,2-a]imidazol-9(3H)-yl)-1-(p-tolyl)ethanol hydrochloride
CID 6603136
2-(3-butyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-phenylethanol hydrochloride
CID 16189491
1-(4-bromophenyl)-2-(3,4-dihydropyrimido[1,2-a]benzimidazol-10(2H)-yl)ethanol hydrochloride
CID 2908008
2-(3,4-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidin-10(2H)-yl)-1-(p-tolyl)ethanol hydrochloride
CID 2910328
1-(4-bromophenyl)-2-(3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)ethanol
CID 3123768
2-(3-benzyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-phenylethanol hydrochloride
CID 6602700
2-(3-Ethyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-1-phenyl-ethanol
CID 9549589

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol?
The IUPAC name of 1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol (CID 659680) is 1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol.
What is the SMILES notation for 1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol?
The canonical SMILES for 1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol is OC(CN1C2=NCCN2c2ccccc21)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol?
The InChIKey is OKYHNGDIQZEBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O/c18-13-7-5-12(6-8-13)16(22)11-21-15-4-2-1-3-14(15)20-10-9-19-17(20)21/h1-8,16,22H,9-11H2.
What are the key properties of 1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol?
1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol has a molecular weight of 358.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol is sourced from PubChem (CID 659680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).