N-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-5-yl]-2-cyanoacetamide

C18H15ClN4O — CID 168523727

IUPACN-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-5-yl]-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc2c(c1)ncn2CCc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN4O/c19-14-3-1-13(2-4-14)8-10-23-12-21-16-11-15(5-6-17(16)23)22-18(24)7-9-20/h1-6,11-12H,7-8,10H2,(H,22,24)
InChIKeyBTTPWCMMQPHOBB-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.78
Rot. Bonds5

About N-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-5-yl]-2-cyanoacetamide

N-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-5-yl]-2-cyanoacetamide (PubChem CID 168523727) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-5-yl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-5-yl]-2-cyanoacetamide
PubChem CID168523727
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC NameN-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-5-yl]-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc2c(c1)ncn2CCc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN4O/c19-14-3-1-13(2-4-14)8-10-23-12-21-16-11-15(5-6-17(16)23)22-18(24)7-9-20/h1-6,11-12H,7-8,10H2,(H,22,24)
InChIKeyBTTPWCMMQPHOBB-UHFFFAOYSA-N
XLogP3.78
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-cyanoacetamide
CID 168521649
3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide
CID 108922560
3-[2-(4-chlorophenyl)ethyl]benzimidazole-5-carboxylic acid
CID 82769086
2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide
CID 168521648
2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 115172919
N-(1-ethylbenzimidazol-5-yl)butanamide
CID 2973046
N-(1-benzyl-2-methylbenzimidazol-5-yl)-2-cyanoacetamide
CID 168521415
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
1-(4-chlorophenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
CID 20974867
2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728531
N-[1-(2-phenylethyl)benzimidazol-5-yl]methanesulfonamide
CID 17139121
N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692599

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-5-yl]-2-cyanoacetamide?
The IUPAC name of N-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-5-yl]-2-cyanoacetamide (CID 168523727) is N-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-5-yl]-2-cyanoacetamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-5-yl]-2-cyanoacetamide?
The canonical SMILES for N-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-5-yl]-2-cyanoacetamide is N#CCC(=O)Nc1ccc2c(c1)ncn2CCc1ccc(Cl)cc1.
What is the InChIKey of N-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-5-yl]-2-cyanoacetamide?
The InChIKey is BTTPWCMMQPHOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-14-3-1-13(2-4-14)8-10-23-12-21-16-11-15(5-6-17(16)23)22-18(24)7-9-20/h1-6,11-12H,7-8,10H2,(H,22,24).
What are the key properties of N-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-5-yl]-2-cyanoacetamide?
N-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-5-yl]-2-cyanoacetamide has a molecular weight of 338.80 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-5-yl]-2-cyanoacetamide is sourced from PubChem (CID 168523727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).