N-(1-benzyl-5-cyanoimidazol-4-yl)-3-chlorobenzamide

C18H13ClN4O — CID 11724600

IUPACN-(1-benzyl-5-cyanoimidazol-4-yl)-3-chlorobenzamide
SMILESN#Cc1c(NC(=O)c2cccc(Cl)c2)ncn1Cc1ccccc1
InChIInChI=1S/C18H13ClN4O/c19-15-8-4-7-14(9-15)18(24)22-17-16(10-20)23(12-21-17)11-13-5-2-1-3-6-13/h1-9,12H,11H2,(H,22,24)
InChIKeyDSMIVBCELIIXTA-UHFFFAOYSA-N
MW336.78 g/mol
LogP3.71
Rot. Bonds4

About N-(1-benzyl-5-cyanoimidazol-4-yl)-3-chlorobenzamide

N-(1-benzyl-5-cyanoimidazol-4-yl)-3-chlorobenzamide (PubChem CID 11724600) has the molecular formula C18H13ClN4O and a molecular weight of 336.78 g/mol. Its IUPAC name is N-(1-benzyl-5-cyanoimidazol-4-yl)-3-chlorobenzamide.

Molecular Properties

Compound NameN-(1-benzyl-5-cyanoimidazol-4-yl)-3-chlorobenzamide
PubChem CID11724600
Molecular FormulaC18H13ClN4O
Molecular Weight336.78 g/mol
Exact Mass336.08
IUPAC NameN-(1-benzyl-5-cyanoimidazol-4-yl)-3-chlorobenzamide
SMILESN#Cc1c(NC(=O)c2cccc(Cl)c2)ncn1Cc1ccccc1
InChIInChI=1S/C18H13ClN4O/c19-15-8-4-7-14(9-15)18(24)22-17-16(10-20)23(12-21-17)11-13-5-2-1-3-6-13/h1-9,12H,11H2,(H,22,24)
InChIKeyDSMIVBCELIIXTA-UHFFFAOYSA-N
XLogP3.71
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[1-[(3-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]benzamide
CID 139986469
N-(9-benzyl-2-butylpurin-6-yl)-3-chlorobenzamide
CID 22115473
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
3-[(4,5-dicyanoimidazol-1-yl)methyl]benzoic acid
CID 112595010
N-[1-[(2-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]-2,5-difluorobenzamide
CID 139986454
3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 17464648
3-chloro-N-[2-[(2-cyanoacetyl)amino]phenyl]benzamide
CID 108922875
3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide
CID 30874096
3-chloro-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide
CID 108923896
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465
3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide
CID 45284642
N-(4-chloro-2-pyridinyl)-3-cyanobenzamide
CID 108797461

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-cyanoimidazol-4-yl)-3-chlorobenzamide?
The IUPAC name of N-(1-benzyl-5-cyanoimidazol-4-yl)-3-chlorobenzamide (CID 11724600) is N-(1-benzyl-5-cyanoimidazol-4-yl)-3-chlorobenzamide.
What is the SMILES notation for N-(1-benzyl-5-cyanoimidazol-4-yl)-3-chlorobenzamide?
The canonical SMILES for N-(1-benzyl-5-cyanoimidazol-4-yl)-3-chlorobenzamide is N#Cc1c(NC(=O)c2cccc(Cl)c2)ncn1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-5-cyanoimidazol-4-yl)-3-chlorobenzamide?
The InChIKey is DSMIVBCELIIXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O/c19-15-8-4-7-14(9-15)18(24)22-17-16(10-20)23(12-21-17)11-13-5-2-1-3-6-13/h1-9,12H,11H2,(H,22,24).
What are the key properties of N-(1-benzyl-5-cyanoimidazol-4-yl)-3-chlorobenzamide?
N-(1-benzyl-5-cyanoimidazol-4-yl)-3-chlorobenzamide has a molecular weight of 336.78 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-cyanoimidazol-4-yl)-3-chlorobenzamide is sourced from PubChem (CID 11724600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).