N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide

C18H19ClN4O2 — CID 51142146

IUPACN-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(NCCO)nc2ccccc21)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN4O2/c19-14-7-5-13(6-8-14)11-21-17(25)12-23-16-4-2-1-3-15(16)22-18(23)20-9-10-24/h1-8,24H,9-12H2,(H,20,22)(H,21,25)
InChIKeyAKIJDKAPDIKYLX-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.41
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide

N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide (PubChem CID 51142146) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
PubChem CID51142146
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(NCCO)nc2ccccc21)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN4O2/c19-14-7-5-13(6-8-14)11-21-17(25)12-23-16-4-2-1-3-15(16)22-18(23)20-9-10-24/h1-8,24H,9-12H2,(H,20,22)(H,21,25)
InChIKeyAKIJDKAPDIKYLX-UHFFFAOYSA-N
XLogP2.41
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 40511262
N-benzyl-2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032565
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295466
N-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide
CID 4884614
1-(3-chlorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrochloride
CID 146052223
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581
N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 46796492
N-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide
CID 78881116
N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide
CID 92852670
2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 51142185
1-(4-bromophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrobromide
CID 2851199
4-[[2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetyl]amino]-N-methylbenzamide
CID 55503123

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide (CID 51142146) is N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide is O=C(Cn1c(NCCO)nc2ccccc21)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide?
The InChIKey is AKIJDKAPDIKYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c19-14-7-5-13(6-8-14)11-21-17(25)12-23-16-4-2-1-3-15(16)22-18(23)20-9-10-24/h1-8,24H,9-12H2,(H,20,22)(H,21,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide has a molecular weight of 358.83 g/mol, XLogP of 2.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 51142146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).