2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-phenylethanol;hydrochloride

C17H18ClN3O — CID 2900011

IUPAC2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-phenylethanol;hydrochloride
SMILESCl.OC(CN1C2=NCCN2c2ccccc21)c1ccccc1
InChIInChI=1S/C17H17N3O.ClH/c21-16(13-6-2-1-3-7-13)12-20-15-9-5-4-8-14(15)19-11-10-18-17(19)20;/h1-9,16,21H,10-12H2;1H
InChIKeyASKBUYSFWOQSEN-UHFFFAOYSA-N
MW315.80 g/mol
LogP2.84
Rot. Bonds3

About 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-phenylethanol;hydrochloride

2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-phenylethanol;hydrochloride (PubChem CID 2900011) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-phenylethanol;hydrochloride.

Molecular Properties

Compound Name2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-phenylethanol;hydrochloride
PubChem CID2900011
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-phenylethanol;hydrochloride
SMILESCl.OC(CN1C2=NCCN2c2ccccc21)c1ccccc1
InChIInChI=1S/C17H17N3O.ClH/c21-16(13-6-2-1-3-7-13)12-20-15-9-5-4-8-14(15)19-11-10-18-17(19)20;/h1-9,16,21H,10-12H2;1H
InChIKeyASKBUYSFWOQSEN-UHFFFAOYSA-N
XLogP2.84
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 52.84
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
2-(2-Imino-3-propyl-2,3-dihydro-benzoimidazol-1-yl)-1-p-tolyl-ethanol
CID 16682339
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
1-(4-bromophenyl)-2-(2,3-dihydro-9H-imidazo[1,2-a]benzimidazol-9-yl)ethanol
CID 659680
2-(2-Imino-3-methyl-2,3-dihydro-benzoimidazol-1-yl)-1-naphthalen-1-yl-ethanol
CID 2868411
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-benzyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-(4-chlorophenyl)ethanol hydrochloride
CID 44522032
2-(3-butyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-phenylethanol hydrochloride
CID 16189491
10-[2-Hydroxy-2-(4-chlorophenyl)ethyl]-2,3,4,10-tetrahydropyrimidino[1,2-a]benzimidazole hydrochloride
CID 2899764
2-(3-butyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-(4-chlorophenyl)ethanol hydrochloride
CID 5342706

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-phenylethanol;hydrochloride?
The IUPAC name of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-phenylethanol;hydrochloride (CID 2900011) is 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-phenylethanol;hydrochloride.
What is the SMILES notation for 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-phenylethanol;hydrochloride?
The canonical SMILES for 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-phenylethanol;hydrochloride is Cl.OC(CN1C2=NCCN2c2ccccc21)c1ccccc1.
What is the InChIKey of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-phenylethanol;hydrochloride?
The InChIKey is ASKBUYSFWOQSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O.ClH/c21-16(13-6-2-1-3-7-13)12-20-15-9-5-4-8-14(15)19-11-10-18-17(19)20;/h1-9,16,21H,10-12H2;1H.
What are the key properties of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-phenylethanol;hydrochloride?
2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-phenylethanol;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-phenylethanol;hydrochloride is sourced from PubChem (CID 2900011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).