1-(3-chlorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrochloride

C17H17Cl2N3O2 — CID 146052223

IUPAC1-(3-chlorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrochloride
SMILESCl.O=C(Cn1c(NCCO)nc2ccccc21)c1cccc(Cl)c1
InChIInChI=1S/C17H16ClN3O2.ClH/c18-13-5-3-4-12(10-13)16(23)11-21-15-7-2-1-6-14(15)20-17(21)19-8-9-22;/h1-7,10,22H,8-9,11H2,(H,19,20);1H
InChIKeyUNJRSDUJWZEWNA-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.40
Rot. Bonds6

About 1-(3-chlorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrochloride

1-(3-chlorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrochloride (PubChem CID 146052223) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrochloride
PubChem CID146052223
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name1-(3-chlorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrochloride
SMILESCl.O=C(Cn1c(NCCO)nc2ccccc21)c1cccc(Cl)c1
InChIInChI=1S/C17H16ClN3O2.ClH/c18-13-5-3-4-12(10-13)16(23)11-21-15-7-2-1-6-14(15)20-17(21)19-8-9-22;/h1-7,10,22H,8-9,11H2,(H,19,20);1H
InChIKeyUNJRSDUJWZEWNA-UHFFFAOYSA-N
XLogP3.40
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-phenylethanone
CID 2850068
1-(4-bromophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrobromide
CID 2851199
N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 51142146
2-[2-(3-chloropropylamino)benzimidazol-1-yl]-1-phenylethanone chloride
CID 53312832
2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 51142185
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581
2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone
CID 2850347
1-(3-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79755506
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 4800861
2-[[1-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-yl]amino]ethanol
CID 166184268
N-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide
CID 78881116
2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide
CID 17463775

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-(3-chlorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrochloride (CID 146052223) is 1-(3-chlorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-(3-chlorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrochloride is Cl.O=C(Cn1c(NCCO)nc2ccccc21)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrochloride?
The InChIKey is UNJRSDUJWZEWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2.ClH/c18-13-5-3-4-12(10-13)16(23)11-21-15-7-2-1-6-14(15)20-17(21)19-8-9-22;/h1-7,10,22H,8-9,11H2,(H,19,20);1H.
What are the key properties of 1-(3-chlorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrochloride?
1-(3-chlorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrochloride has a molecular weight of 366.25 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 146052223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).