N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide

C22H19ClN4O — CID 16964259

IUPACN-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1nc2ccccc2n1Cc1ccccc1Cl)c1cccnc1
InChIInChI=1S/C22H19ClN4O/c23-18-8-2-1-6-17(18)15-27-20-10-4-3-9-19(20)26-21(27)11-13-25-22(28)16-7-5-12-24-14-16/h1-10,12,14H,11,13,15H2,(H,25,28)
InChIKeyIWORIVJEBAZGDL-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.11
Rot. Bonds6

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

N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide (PubChem CID 16964259) has the molecular formula C22H19ClN4O and a molecular weight of 390.87 g/mol. Its IUPAC name is N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
PubChem CID16964259
Molecular FormulaC22H19ClN4O
Molecular Weight390.87 g/mol
Exact Mass390.12
IUPAC NameN-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1nc2ccccc2n1Cc1ccccc1Cl)c1cccnc1
InChIInChI=1S/C22H19ClN4O/c23-18-8-2-1-6-17(18)15-27-20-10-4-3-9-19(20)26-21(27)11-13-25-22(28)16-7-5-12-24-14-16/h1-10,12,14H,11,13,15H2,(H,25,28)
InChIKeyIWORIVJEBAZGDL-UHFFFAOYSA-N
XLogP4.11
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.11
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]pyridine-3-carboxamide
CID 16964262
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-4-fluorobenzamide
CID 16977299
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]-2,2-dimethylpropanamide
CID 3160753
N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964253
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975895
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 4753051
N-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964435
4-chloro-N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 4630378
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965555
ethyl 2-[2-[2-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16964380
N-[2-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964378

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide (CID 16964259) is N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide is O=C(NCCc1nc2ccccc2n1Cc1ccccc1Cl)c1cccnc1.
What is the InChIKey of N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is IWORIVJEBAZGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O/c23-18-8-2-1-6-17(18)15-27-20-10-4-3-9-19(20)26-21(27)11-13-25-22(28)16-7-5-12-24-14-16/h1-10,12,14H,11,13,15H2,(H,25,28).
What are the key properties of N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 16964259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).