N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide

C22H18Cl2N4O — CID 16964262

IUPACN-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1)c1cccnc1
InChIInChI=1S/C22H18Cl2N4O/c23-17-8-7-15(12-18(17)24)14-28-20-6-2-1-5-19(20)27-21(28)9-11-26-22(29)16-4-3-10-25-13-16/h1-8,10,12-13H,9,11,14H2,(H,26,29)
InChIKeyZMFNOUMHHDCDNU-UHFFFAOYSA-N
MW425.32 g/mol
LogP4.76
Rot. Bonds6

About N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide

N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide (PubChem CID 16964262) has the molecular formula C22H18Cl2N4O and a molecular weight of 425.32 g/mol. Its IUPAC name is N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
PubChem CID16964262
Molecular FormulaC22H18Cl2N4O
Molecular Weight425.32 g/mol
Exact Mass424.09
IUPAC NameN-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1)c1cccnc1
InChIInChI=1S/C22H18Cl2N4O/c23-17-8-7-15(12-18(17)24)14-28-20-6-2-1-5-19(20)27-21(28)9-11-26-22(29)16-4-3-10-25-13-16/h1-8,10,12-13H,9,11,14H2,(H,26,29)
InChIKeyZMFNOUMHHDCDNU-UHFFFAOYSA-N
XLogP4.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.32
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975738
N-[2-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964272
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964259
N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964253
N-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964435
2-(2-chlorophenyl)-N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979261
N-[2-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965888
N-[3-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 16981428
ethyl 2-[2-[2-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16964380
4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754980
N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964361
N-[2-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964275

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide (CID 16964262) is N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide is O=C(NCCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1)c1cccnc1.
What is the InChIKey of N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is ZMFNOUMHHDCDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O/c23-17-8-7-15(12-18(17)24)14-28-20-6-2-1-5-19(20)27-21(28)9-11-26-22(29)16-4-3-10-25-13-16/h1-8,10,12-13H,9,11,14H2,(H,26,29).
What are the key properties of N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 425.32 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 16964262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).