N-[4-(difluoromethoxy)phenyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide

C18H18F2N4O3 — CID 51142198

IUPACN-[4-(difluoromethoxy)phenyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(NCCO)nc2ccccc21)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H18F2N4O3/c19-17(20)27-13-7-5-12(6-8-13)22-16(26)11-24-15-4-2-1-3-14(15)23-18(24)21-9-10-25/h1-8,17,25H,9-11H2,(H,21,23)(H,22,26)
InChIKeyYYORXBSILLZDFS-UHFFFAOYSA-N
MW376.36 g/mol
LogP2.68
Rot. Bonds8

About N-[4-(difluoromethoxy)phenyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide

N-[4-(difluoromethoxy)phenyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide (PubChem CID 51142198) has the molecular formula C18H18F2N4O3 and a molecular weight of 376.36 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
PubChem CID51142198
Molecular FormulaC18H18F2N4O3
Molecular Weight376.36 g/mol
Exact Mass376.13
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(NCCO)nc2ccccc21)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H18F2N4O3/c19-17(20)27-13-7-5-12(6-8-13)22-16(26)11-24-15-4-2-1-3-14(15)23-18(24)21-9-10-25/h1-8,17,25H,9-11H2,(H,21,23)(H,22,26)
InChIKeyYYORXBSILLZDFS-UHFFFAOYSA-N
XLogP2.68
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetyl]amino]-N-methylbenzamide
CID 55503123
N-[4-(difluoromethoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 24513923
2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide
CID 17463775
N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 51142146
N-(3,4-dimethylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 42971045
2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 51142185
N-(3,4-difluorophenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 42904076
1-(4-bromophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrobromide
CID 2851199
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
N-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 78767015
2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone
CID 2850347
N-(4-ethoxyphenyl)-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 3460449

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide (CID 51142198) is N-[4-(difluoromethoxy)phenyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide is O=C(Cn1c(NCCO)nc2ccccc21)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide?
The InChIKey is YYORXBSILLZDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O3/c19-17(20)27-13-7-5-12(6-8-13)22-16(26)11-24-15-4-2-1-3-14(15)23-18(24)21-9-10-25/h1-8,17,25H,9-11H2,(H,21,23)(H,22,26).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide?
N-[4-(difluoromethoxy)phenyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide has a molecular weight of 376.36 g/mol, XLogP of 2.68, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 51142198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).