2-[3-[2-(4-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]acetamide;hydrochloride

C17H18Cl2N4O2 — CID 17370592

IUPAC2-[3-[2-(4-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]acetamide;hydrochloride
SMILESCl.[H]/N=c1\n(CCOc2ccc(Cl)cc2)c2ccccc2n1CC(N)=O
InChIInChI=1S/C17H17ClN4O2.ClH/c18-12-5-7-13(8-6-12)24-10-9-21-14-3-1-2-4-15(14)22(17(21)20)11-16(19)23;/h1-8,20H,9-11H2,(H2,19,23);1H/b20-17+;
InChIKeyVXRJRNIKRDPHOW-SJEOTZHBSA-N
MW381.26 g/mol
LogP2.56
Rot. Bonds6

About 2-[3-[2-(4-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]acetamide;hydrochloride

2-[3-[2-(4-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]acetamide;hydrochloride (PubChem CID 17370592) has the molecular formula C17H18Cl2N4O2 and a molecular weight of 381.26 g/mol. Its IUPAC name is 2-[3-[2-(4-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-[2-(4-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]acetamide;hydrochloride
PubChem CID17370592
Molecular FormulaC17H18Cl2N4O2
Molecular Weight381.26 g/mol
Exact Mass380.08
IUPAC Name2-[3-[2-(4-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]acetamide;hydrochloride
SMILESCl.[H]/N=c1\n(CCOc2ccc(Cl)cc2)c2ccccc2n1CC(N)=O
InChIInChI=1S/C17H17ClN4O2.ClH/c18-12-5-7-13(8-6-12)24-10-9-21-14-3-1-2-4-15(14)22(17(21)20)11-16(19)23;/h1-8,20H,9-11H2,(H2,19,23);1H/b20-17+;
InChIKeyVXRJRNIKRDPHOW-SJEOTZHBSA-N
XLogP2.56
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[2-(4-bromophenoxy)ethyl]-2-iminobenzimidazol-1-yl]acetamide
CID 3638931
1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3778765
1-[2-(4-bromophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine
CID 17272705
1-[3-(4-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]benzimidazol-2-imine
CID 17272675
1-[2-(2-chlorophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine
CID 17272709
ethyl 2-[2-imino-3-[2-(4-methylphenoxy)ethyl]benzimidazol-1-yl]acetate
CID 35215833
ethyl 2-[3-[2-(4-bromophenoxy)ethyl]-2-iminobenzimidazol-1-yl]acetate
CID 3421166
1-[3-(4-chlorophenoxy)propyl]-3-(2-methylpropyl)benzimidazol-2-imine
CID 17272669
2-[4-chloro-2-imino-3-(2-phenoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone
CID 58986149
1-[(2-chlorophenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine;hydrochloride
CID 163325463
4-chloro-1-[2-(4-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide
CID 86288558
1-[3-(4-chlorophenoxy)propyl]-3-[(3,4-dichlorophenyl)methyl]benzimidazol-2-imine
CID 17272687

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]acetamide;hydrochloride?
The IUPAC name of 2-[3-[2-(4-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]acetamide;hydrochloride (CID 17370592) is 2-[3-[2-(4-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-[3-[2-(4-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]acetamide;hydrochloride?
The canonical SMILES for 2-[3-[2-(4-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]acetamide;hydrochloride is Cl.[H]/N=c1\n(CCOc2ccc(Cl)cc2)c2ccccc2n1CC(N)=O.
What is the InChIKey of 2-[3-[2-(4-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]acetamide;hydrochloride?
The InChIKey is VXRJRNIKRDPHOW-SJEOTZHBSA-N. The full InChI is InChI=1S/C17H17ClN4O2.ClH/c18-12-5-7-13(8-6-12)24-10-9-21-14-3-1-2-4-15(14)22(17(21)20)11-16(19)23;/h1-8,20H,9-11H2,(H2,19,23);1H/b20-17+;.
What are the key properties of 2-[3-[2-(4-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]acetamide;hydrochloride?
2-[3-[2-(4-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]acetamide;hydrochloride has a molecular weight of 381.26 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 17370592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).