N-[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide

C25H18N4O3 — CID 2192323

IUPACN-[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C25H18N4O3/c30-24(17-7-4-9-19(15-17)27-25(31)22-12-5-13-32-22)26-18-8-3-6-16(14-18)23-28-20-10-1-2-11-21(20)29-23/h1-15H,(H,26,30)(H,27,31)(H,28,29)
InChIKeyWFJMXMMPYVXLFE-UHFFFAOYSA-N
MW422.44 g/mol
LogP5.33
Rot. Bonds5

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

N-[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 2192323) has the molecular formula C25H18N4O3 and a molecular weight of 422.44 g/mol. Its IUPAC name is N-[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID2192323
Molecular FormulaC25H18N4O3
Molecular Weight422.44 g/mol
Exact Mass422.14
IUPAC NameN-[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C25H18N4O3/c30-24(17-7-4-9-19(15-17)27-25(31)22-12-5-13-32-22)26-18-8-3-6-16(14-18)23-28-20-10-1-2-11-21(20)29-23/h1-15H,(H,26,30)(H,27,31)(H,28,29)
InChIKeyWFJMXMMPYVXLFE-UHFFFAOYSA-N
XLogP5.33
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide (CID 2192323) is N-[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide is O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is WFJMXMMPYVXLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O3/c30-24(17-7-4-9-19(15-17)27-25(31)22-12-5-13-32-22)26-18-8-3-6-16(14-18)23-28-20-10-1-2-11-21(20)29-23/h1-15H,(H,26,30)(H,27,31)(H,28,29).
What are the key properties of N-[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
N-[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 422.44 g/mol, XLogP of 5.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 2192323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).