N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-iodofuran-2-carboxamide

C18H11ClIN3O2 — CID 1361388

IUPACN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-iodofuran-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc(I)o1
InChIInChI=1S/C18H11ClIN3O2/c19-12-6-5-10(21-18(24)15-7-8-16(20)25-15)9-11(12)17-22-13-3-1-2-4-14(13)23-17/h1-9H,(H,21,24)(H,22,23)
InChIKeyNYRBFMLVTKJTPK-UHFFFAOYSA-N
MW463.66 g/mol
LogP5.33
Rot. Bonds3

About N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-iodofuran-2-carboxamide

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-iodofuran-2-carboxamide (PubChem CID 1361388) has the molecular formula C18H11ClIN3O2 and a molecular weight of 463.66 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-iodofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-iodofuran-2-carboxamide
PubChem CID1361388
Molecular FormulaC18H11ClIN3O2
Molecular Weight463.66 g/mol
Exact Mass462.96
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-iodofuran-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc(I)o1
InChIInChI=1S/C18H11ClIN3O2/c19-12-6-5-10(21-18(24)15-7-8-16(20)25-15)9-11(12)17-22-13-3-1-2-4-14(13)23-17/h1-9H,(H,21,24)(H,22,23)
InChIKeyNYRBFMLVTKJTPK-UHFFFAOYSA-N
XLogP5.33
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.66
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide
CID 5346054
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloropyridine-4-carboxamide
CID 89391363
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,5-bis(trifluoromethyl)benzamide
CID 89391347
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide
CID 2208803
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-cyanoacetamide
CID 168521087
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxy-2-methylbenzamide
CID 70967059
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 5151928
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 11502886
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-chloro-4-ethoxybenzamide
CID 1352608
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 110162739
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-phenylcyclohexane-1-carboxamide
CID 90031123
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4-diethoxy-5-methylbenzamide
CID 59242140

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-iodofuran-2-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-iodofuran-2-carboxamide (CID 1361388) is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-iodofuran-2-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-iodofuran-2-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-iodofuran-2-carboxamide is O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc(I)o1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-iodofuran-2-carboxamide?
The InChIKey is NYRBFMLVTKJTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClIN3O2/c19-12-6-5-10(21-18(24)15-7-8-16(20)25-15)9-11(12)17-22-13-3-1-2-4-14(13)23-17/h1-9H,(H,21,24)(H,22,23).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-iodofuran-2-carboxamide?
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-iodofuran-2-carboxamide has a molecular weight of 463.66 g/mol, XLogP of 5.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-iodofuran-2-carboxamide is sourced from PubChem (CID 1361388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).