N-(3,4-difluorophenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide

C18H18F2N4O2 — CID 42904076

IUPACN-(3,4-difluorophenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
SMILESCC(O)CNc1nc2ccccc2n1CC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H18F2N4O2/c1-11(25)9-21-18-23-15-4-2-3-5-16(15)24(18)10-17(26)22-12-6-7-13(19)14(20)8-12/h2-8,11,25H,9-10H2,1H3,(H,21,23)(H,22,26)
InChIKeyWILRTIHQJYFWDN-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.75
Rot. Bonds6

About N-(3,4-difluorophenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide

N-(3,4-difluorophenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide (PubChem CID 42904076) has the molecular formula C18H18F2N4O2 and a molecular weight of 360.36 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
PubChem CID42904076
Molecular FormulaC18H18F2N4O2
Molecular Weight360.36 g/mol
Exact Mass360.14
IUPAC NameN-(3,4-difluorophenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
SMILESCC(O)CNc1nc2ccccc2n1CC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H18F2N4O2/c1-11(25)9-21-18-23-15-4-2-3-5-16(15)24(18)10-17(26)22-12-6-7-13(19)14(20)8-12/h2-8,11,25H,9-10H2,1H3,(H,21,23)(H,22,26)
InChIKeyWILRTIHQJYFWDN-UHFFFAOYSA-N
XLogP2.75
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 42971045
N-(4-bromo-3-methylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 42971048
2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7024444
2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 5187497
2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-pentan-3-ylacetamide
CID 42971097
N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide
CID 92852670
N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 46796492
3-[4-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
CID 53129425
2-[2-[[(2R)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 92852643
N-(3,4-difluorophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 110688906
N-(3,4-difluorophenyl)-2-(1-propylbenzimidazol-2-yl)sulfanylacetamide
CID 3961652
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide (CID 42904076) is N-(3,4-difluorophenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide is CC(O)CNc1nc2ccccc2n1CC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide?
The InChIKey is WILRTIHQJYFWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2/c1-11(25)9-21-18-23-15-4-2-3-5-16(15)24(18)10-17(26)22-12-6-7-13(19)14(20)8-12/h2-8,11,25H,9-10H2,1H3,(H,21,23)(H,22,26).
What are the key properties of N-(3,4-difluorophenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide?
N-(3,4-difluorophenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide has a molecular weight of 360.36 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 42904076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).