N-(pyridin-3-ylmethyl)-N-[3-(pyridin-4-ylmethylamino)phenyl]-3H-benzimidazole-5-carboxamide

C26H22N6O — CID 67011242

IUPACN-(pyridin-3-ylmethyl)-N-[3-(pyridin-4-ylmethylamino)phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(c1ccc2nc[nH]c2c1)N(Cc1cccnc1)c1cccc(NCc2ccncc2)c1
InChIInChI=1S/C26H22N6O/c33-26(21-6-7-24-25(13-21)31-18-30-24)32(17-20-3-2-10-28-15-20)23-5-1-4-22(14-23)29-16-19-8-11-27-12-9-19/h1-15,18,29H,16-17H2,(H,30,31)
InChIKeyLKKWHZVZPYHCDR-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.81
Rot. Bonds7

About N-(pyridin-3-ylmethyl)-N-[3-(pyridin-4-ylmethylamino)phenyl]-3H-benzimidazole-5-carboxamide

N-(pyridin-3-ylmethyl)-N-[3-(pyridin-4-ylmethylamino)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 67011242) has the molecular formula C26H22N6O and a molecular weight of 434.50 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-N-[3-(pyridin-4-ylmethylamino)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-N-[3-(pyridin-4-ylmethylamino)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID67011242
Molecular FormulaC26H22N6O
Molecular Weight434.50 g/mol
Exact Mass434.19
IUPAC NameN-(pyridin-3-ylmethyl)-N-[3-(pyridin-4-ylmethylamino)phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(c1ccc2nc[nH]c2c1)N(Cc1cccnc1)c1cccc(NCc2ccncc2)c1
InChIInChI=1S/C26H22N6O/c33-26(21-6-7-24-25(13-21)31-18-30-24)32(17-20-3-2-10-28-15-20)23-5-1-4-22(14-23)29-16-19-8-11-27-12-9-19/h1-15,18,29H,16-17H2,(H,30,31)
InChIKeyLKKWHZVZPYHCDR-UHFFFAOYSA-N
XLogP4.81
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43397556
N'-(3H-benzimidazol-5-yl)-N-(pyridin-3-ylmethyl)oxamide
CID 108506743
3-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide
CID 110360522
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360828
N'-(pyridine-3-carbonyl)-3H-benzimidazole-5-carbohydrazide
CID 4827071
3-(pyridin-4-ylmethylamino)benzamide
CID 28650520
N-(4-fluorophenyl)-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110360811
[2-[N-acetyl-3-(pyridin-3-ylmethylamino)anilino]-2-oxoethyl] acetate
CID 54206800
3-methylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 110619955
N-benzyl-3-fluoro-N-[3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide
CID 42859312
N-methyl-3-(pyridin-4-ylmethylamino)benzamide
CID 28650269
ethyl 4-[(3-ethoxybenzoyl)-(pyridin-3-ylmethyl)amino]benzoate
CID 19631305

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-N-[3-(pyridin-4-ylmethylamino)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-N-[3-(pyridin-4-ylmethylamino)phenyl]-3H-benzimidazole-5-carboxamide (CID 67011242) is N-(pyridin-3-ylmethyl)-N-[3-(pyridin-4-ylmethylamino)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-N-[3-(pyridin-4-ylmethylamino)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-N-[3-(pyridin-4-ylmethylamino)phenyl]-3H-benzimidazole-5-carboxamide is O=C(c1ccc2nc[nH]c2c1)N(Cc1cccnc1)c1cccc(NCc2ccncc2)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-N-[3-(pyridin-4-ylmethylamino)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is LKKWHZVZPYHCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O/c33-26(21-6-7-24-25(13-21)31-18-30-24)32(17-20-3-2-10-28-15-20)23-5-1-4-22(14-23)29-16-19-8-11-27-12-9-19/h1-15,18,29H,16-17H2,(H,30,31).
What are the key properties of N-(pyridin-3-ylmethyl)-N-[3-(pyridin-4-ylmethylamino)phenyl]-3H-benzimidazole-5-carboxamide?
N-(pyridin-3-ylmethyl)-N-[3-(pyridin-4-ylmethylamino)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-N-[3-(pyridin-4-ylmethylamino)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 67011242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).