N-[[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]methyl]-1H-benzimidazole-2-carboxamide

C26H21N5O3 — CID 71476058

IUPACN-[[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]methyl]-1H-benzimidazole-2-carboxamide
SMILESNc1ccc(-c2ccco2)cc1NC(=O)c1ccc(CNC(=O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C26H21N5O3/c27-19-12-11-18(23-6-3-13-34-23)14-22(19)31-25(32)17-9-7-16(8-10-17)15-28-26(33)24-29-20-4-1-2-5-21(20)30-24/h1-14H,15,27H2,(H,28,33)(H,29,30)(H,31,32)
InChIKeyWGABBPLSLFGFNC-UHFFFAOYSA-N
MW451.49 g/mol
LogP4.59
Rot. Bonds6

About N-[[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]methyl]-1H-benzimidazole-2-carboxamide

N-[[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]methyl]-1H-benzimidazole-2-carboxamide (PubChem CID 71476058) has the molecular formula C26H21N5O3 and a molecular weight of 451.49 g/mol. Its IUPAC name is N-[[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]methyl]-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]methyl]-1H-benzimidazole-2-carboxamide
PubChem CID71476058
Molecular FormulaC26H21N5O3
Molecular Weight451.49 g/mol
Exact Mass451.16
IUPAC NameN-[[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]methyl]-1H-benzimidazole-2-carboxamide
SMILESNc1ccc(-c2ccco2)cc1NC(=O)c1ccc(CNC(=O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C26H21N5O3/c27-19-12-11-18(23-6-3-13-34-23)14-22(19)31-25(32)17-9-7-16(8-10-17)15-28-26(33)24-29-20-4-1-2-5-21(20)30-24/h1-14H,15,27H2,(H,28,33)(H,29,30)(H,31,32)
InChIKeyWGABBPLSLFGFNC-UHFFFAOYSA-N
XLogP4.59
TPSA126.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 54.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]methyl]-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-[[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]methyl]-1H-benzimidazole-2-carboxamide (CID 71476058) is N-[[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]methyl]-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-[[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]methyl]-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-[[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]methyl]-1H-benzimidazole-2-carboxamide is Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc(CNC(=O)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]methyl]-1H-benzimidazole-2-carboxamide?
The InChIKey is WGABBPLSLFGFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3/c27-19-12-11-18(23-6-3-13-34-23)14-22(19)31-25(32)17-9-7-16(8-10-17)15-28-26(33)24-29-20-4-1-2-5-21(20)30-24/h1-14H,15,27H2,(H,28,33)(H,29,30)(H,31,32).
What are the key properties of N-[[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]methyl]-1H-benzimidazole-2-carboxamide?
N-[[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]methyl]-1H-benzimidazole-2-carboxamide has a molecular weight of 451.49 g/mol, XLogP of 4.59, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]methyl]-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 71476058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).