N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide

C24H16ClN3O2 — CID 1112705

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C24H16ClN3O2/c25-17-9-5-15(6-10-17)21-13-14-22(30-21)24(29)26-18-11-7-16(8-12-18)23-27-19-3-1-2-4-20(19)28-23/h1-14H,(H,26,29)(H,27,28)
InChIKeyFGWCLRHJUYNTLB-UHFFFAOYSA-N
MW413.86 g/mol
LogP6.40
Rot. Bonds4

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

N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide (PubChem CID 1112705) has the molecular formula C24H16ClN3O2 and a molecular weight of 413.86 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
PubChem CID1112705
Molecular FormulaC24H16ClN3O2
Molecular Weight413.86 g/mol
Exact Mass413.09
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C24H16ClN3O2/c25-17-9-5-15(6-10-17)21-13-14-22(30-21)24(29)26-18-11-7-16(8-12-18)23-27-19-3-1-2-4-20(19)28-23/h1-14H,(H,26,29)(H,27,28)
InChIKeyFGWCLRHJUYNTLB-UHFFFAOYSA-N
XLogP6.40
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.86
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide (CID 1112705) is N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide?
The InChIKey is FGWCLRHJUYNTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN3O2/c25-17-9-5-15(6-10-17)21-13-14-22(30-21)24(29)26-18-11-7-16(8-12-18)23-27-19-3-1-2-4-20(19)28-23/h1-14H,(H,26,29)(H,27,28).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide has a molecular weight of 413.86 g/mol, XLogP of 6.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 1112705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).