N-[1-[(2-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]-2,5-difluorobenzamide

C18H11ClF2N4O — CID 139986454

IUPACN-[1-[(2-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]-2,5-difluorobenzamide
SMILESN#Cc1c(NC(=O)c2cc(F)ccc2F)ncn1Cc1ccccc1Cl
InChIInChI=1S/C18H11ClF2N4O/c19-14-4-2-1-3-11(14)9-25-10-23-17(16(25)8-22)24-18(26)13-7-12(20)5-6-15(13)21/h1-7,10H,9H2,(H,24,26)
InChIKeyGQGLJESAWDSFNN-UHFFFAOYSA-N
MW372.76 g/mol
LogP3.99
Rot. Bonds4

About N-[1-[(2-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]-2,5-difluorobenzamide

N-[1-[(2-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]-2,5-difluorobenzamide (PubChem CID 139986454) has the molecular formula C18H11ClF2N4O and a molecular weight of 372.76 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]-2,5-difluorobenzamide
PubChem CID139986454
Molecular FormulaC18H11ClF2N4O
Molecular Weight372.76 g/mol
Exact Mass372.06
IUPAC NameN-[1-[(2-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]-2,5-difluorobenzamide
SMILESN#Cc1c(NC(=O)c2cc(F)ccc2F)ncn1Cc1ccccc1Cl
InChIInChI=1S/C18H11ClF2N4O/c19-14-4-2-1-3-11(14)9-25-10-23-17(16(25)8-22)24-18(26)13-7-12(20)5-6-15(13)21/h1-7,10H,9H2,(H,24,26)
InChIKeyGQGLJESAWDSFNN-UHFFFAOYSA-N
XLogP3.99
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.76
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-(2,4-difluorophenyl)-2-oxopyridine-3-carboxamide
CID 7598500
3-chloro-N-[1-[(3-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]benzamide
CID 139986469
5-[(2-fluorobenzoyl)amino]-3-[(2-fluorophenyl)methyl]imidazole-4-carboxamide
CID 18360382
2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide
CID 4867176
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide
CID 19287808
N-(3,5-dibromopyrazin-2-yl)-2,5-difluorobenzamide
CID 113255841
N-[2-(bromomethyl)phenyl]-2,5-difluorobenzamide
CID 113274477
1-[(2,4-dichlorophenyl)methyl]-N-(2,5-difluorophenyl)-2-oxopyridine-3-carboxamide
CID 7599310
2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19402865
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide
CID 19287185
2,5-difluoro-N-(1-phenylpyrazol-3-yl)benzamide
CID 47021837
1-[(2-chlorophenyl)methyl]-5,6-difluorobenzimidazole
CID 31788167

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]-2,5-difluorobenzamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]-2,5-difluorobenzamide (CID 139986454) is N-[1-[(2-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]-2,5-difluorobenzamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]-2,5-difluorobenzamide is N#Cc1c(NC(=O)c2cc(F)ccc2F)ncn1Cc1ccccc1Cl.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]-2,5-difluorobenzamide?
The InChIKey is GQGLJESAWDSFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2N4O/c19-14-4-2-1-3-11(14)9-25-10-23-17(16(25)8-22)24-18(26)13-7-12(20)5-6-15(13)21/h1-7,10H,9H2,(H,24,26).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]-2,5-difluorobenzamide?
N-[1-[(2-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]-2,5-difluorobenzamide has a molecular weight of 372.76 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]-2,5-difluorobenzamide is sourced from PubChem (CID 139986454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).