N-[1H-benzimidazol-2-yl(phenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide

C25H20N4O2 — CID 51361468

IUPACN-[1H-benzimidazol-2-yl(phenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1cccnc1)C(c1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C25H20N4O2/c30-25(22-13-7-15-31-22)29(17-18-8-6-14-26-16-18)23(19-9-2-1-3-10-19)24-27-20-11-4-5-12-21(20)28-24/h1-16,23H,17H2,(H,27,28)
InChIKeyXFLKCADJSHJLIY-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.98
Rot. Bonds6

About N-[1H-benzimidazol-2-yl(phenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide

N-[1H-benzimidazol-2-yl(phenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide (PubChem CID 51361468) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[1H-benzimidazol-2-yl(phenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1H-benzimidazol-2-yl(phenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
PubChem CID51361468
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC NameN-[1H-benzimidazol-2-yl(phenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1cccnc1)C(c1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C25H20N4O2/c30-25(22-13-7-15-31-22)29(17-18-8-6-14-26-16-18)23(19-9-2-1-3-10-19)24-27-20-11-4-5-12-21(20)28-24/h1-16,23H,17H2,(H,27,28)
InChIKeyXFLKCADJSHJLIY-UHFFFAOYSA-N
XLogP4.98
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1H-benzimidazol-2-yl(phenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[1H-benzimidazol-2-yl(phenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide (CID 51361468) is N-[1H-benzimidazol-2-yl(phenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1H-benzimidazol-2-yl(phenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[1H-benzimidazol-2-yl(phenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide is O=C(c1ccco1)N(Cc1cccnc1)C(c1ccccc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1H-benzimidazol-2-yl(phenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The InChIKey is XFLKCADJSHJLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c30-25(22-13-7-15-31-22)29(17-18-8-6-14-26-16-18)23(19-9-2-1-3-10-19)24-27-20-11-4-5-12-21(20)28-24/h1-16,23H,17H2,(H,27,28).
What are the key properties of N-[1H-benzimidazol-2-yl(phenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
N-[1H-benzimidazol-2-yl(phenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1H-benzimidazol-2-yl(phenyl)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 51361468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).