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

C25H19N5O3 — CID 90106495

IUPACN-[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]-1H-benzimidazole-2-carboxamide
SMILESNc1ccc(-c2ccco2)cc1NC(=O)c1ccc(NC(=O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C25H19N5O3/c26-18-12-9-16(22-6-3-13-33-22)14-21(18)30-24(31)15-7-10-17(11-8-15)27-25(32)23-28-19-4-1-2-5-20(19)29-23/h1-14H,26H2,(H,27,32)(H,28,29)(H,30,31)
InChIKeyBETWNJQSIICMIU-UHFFFAOYSA-N
MW437.46 g/mol
LogP4.91
Rot. Bonds5

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

N-[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]-1H-benzimidazole-2-carboxamide (PubChem CID 90106495) has the molecular formula C25H19N5O3 and a molecular weight of 437.46 g/mol. Its IUPAC name is N-[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]-1H-benzimidazole-2-carboxamide
PubChem CID90106495
Molecular FormulaC25H19N5O3
Molecular Weight437.46 g/mol
Exact Mass437.15
IUPAC NameN-[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]-1H-benzimidazole-2-carboxamide
SMILESNc1ccc(-c2ccco2)cc1NC(=O)c1ccc(NC(=O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C25H19N5O3/c26-18-12-9-16(22-6-3-13-33-22)14-21(18)30-24(31)15-7-10-17(11-8-15)27-25(32)23-28-19-4-1-2-5-20(19)29-23/h1-14H,26H2,(H,27,32)(H,28,29)(H,30,31)
InChIKeyBETWNJQSIICMIU-UHFFFAOYSA-N
XLogP4.91
TPSA126.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 54.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbamoylphenyl)-1H-benzimidazole-2-carboxamide
CID 110468823
N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide
CID 59341302
N-[2-amino-5-(furan-2-yl)phenyl]-4-[1-(benzenesulfonylmethyl)triazol-4-yl]benzamide
CID 149188625
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide
CID 3584641
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
CID 3011124
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 17360605
N-(4-hydroxy-2-methylphenyl)-1H-benzimidazole-2-carboxamide
CID 110468789
N-(3-acetylphenyl)-1H-benzimidazole-2-carboxamide
CID 110468819
4-amino-N-[3-(1H-benzimidazol-2-yl)-4-hydroxyphenyl]benzamide
CID 1160309
N-[4-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55863771
N-(1H-benzimidazol-2-yl)-4-(carbamoylamino)benzamide
CID 2477191

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]-1H-benzimidazole-2-carboxamide (CID 90106495) is N-[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]-1H-benzimidazole-2-carboxamide is Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc(NC(=O)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]-1H-benzimidazole-2-carboxamide?
The InChIKey is BETWNJQSIICMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O3/c26-18-12-9-16(22-6-3-13-33-22)14-21(18)30-24(31)15-7-10-17(11-8-15)27-25(32)23-28-19-4-1-2-5-20(19)29-23/h1-14H,26H2,(H,27,32)(H,28,29)(H,30,31).
What are the key properties of N-[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]-1H-benzimidazole-2-carboxamide?
N-[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]-1H-benzimidazole-2-carboxamide has a molecular weight of 437.46 g/mol, XLogP of 4.91, 5 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]-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 90106495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).