3-chloro-N-[1-[(3-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]benzamide

C18H12Cl2N4O — CID 139986469

IUPAC3-chloro-N-[1-[(3-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]benzamide
SMILESN#Cc1c(NC(=O)c2cccc(Cl)c2)ncn1Cc1cccc(Cl)c1
InChIInChI=1S/C18H12Cl2N4O/c19-14-5-1-3-12(7-14)10-24-11-22-17(16(24)9-21)23-18(25)13-4-2-6-15(20)8-13/h1-8,11H,10H2,(H,23,25)
InChIKeyDOVMQKVTOWQNTE-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.36
Rot. Bonds4

About 3-chloro-N-[1-[(3-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]benzamide

3-chloro-N-[1-[(3-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]benzamide (PubChem CID 139986469) has the molecular formula C18H12Cl2N4O and a molecular weight of 371.23 g/mol. Its IUPAC name is 3-chloro-N-[1-[(3-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-[(3-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]benzamide
PubChem CID139986469
Molecular FormulaC18H12Cl2N4O
Molecular Weight371.23 g/mol
Exact Mass370.04
IUPAC Name3-chloro-N-[1-[(3-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]benzamide
SMILESN#Cc1c(NC(=O)c2cccc(Cl)c2)ncn1Cc1cccc(Cl)c1
InChIInChI=1S/C18H12Cl2N4O/c19-14-5-1-3-12(7-14)10-24-11-22-17(16(24)9-21)23-18(25)13-4-2-6-15(20)8-13/h1-8,11H,10H2,(H,23,25)
InChIKeyDOVMQKVTOWQNTE-UHFFFAOYSA-N
XLogP4.36
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-5-cyanoimidazol-4-yl)-3-chlorobenzamide
CID 11724600
3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 17464648
3-[(4,5-dicyanoimidazol-1-yl)methyl]benzoic acid
CID 112595010
N-(9-benzyl-2-butylpurin-6-yl)-3-chlorobenzamide
CID 22115473
N-[1-[(2-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]-2,5-difluorobenzamide
CID 139986454
1-[(3-chlorophenyl)methyl]imidazole-4,5-dicarboxamide
CID 122517687
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
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
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1H-pyrrole-3-carboxamide
CID 130384067
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19403194

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[(3-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]benzamide?
The IUPAC name of 3-chloro-N-[1-[(3-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]benzamide (CID 139986469) is 3-chloro-N-[1-[(3-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[1-[(3-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]benzamide?
The canonical SMILES for 3-chloro-N-[1-[(3-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]benzamide is N#Cc1c(NC(=O)c2cccc(Cl)c2)ncn1Cc1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-[(3-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]benzamide?
The InChIKey is DOVMQKVTOWQNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O/c19-14-5-1-3-12(7-14)10-24-11-22-17(16(24)9-21)23-18(25)13-4-2-6-15(20)8-13/h1-8,11H,10H2,(H,23,25).
What are the key properties of 3-chloro-N-[1-[(3-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]benzamide?
3-chloro-N-[1-[(3-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]benzamide has a molecular weight of 371.23 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[(3-chlorophenyl)methyl]-5-cyanoimidazol-4-yl]benzamide is sourced from PubChem (CID 139986469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).