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

C24H15Cl2N3O2 — CID 1112711

IUPACN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-(4-chlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C24H15Cl2N3O2/c25-15-7-5-14(6-8-15)21-11-12-22(31-21)24(30)27-16-9-10-18(26)17(13-16)23-28-19-3-1-2-4-20(19)29-23/h1-13H,(H,27,30)(H,28,29)
InChIKeyCYJAHYGPLXZHEO-UHFFFAOYSA-N
MW448.31 g/mol
LogP7.05
Rot. Bonds4

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

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-(4-chlorophenyl)furan-2-carboxamide (PubChem CID 1112711) has the molecular formula C24H15Cl2N3O2 and a molecular weight of 448.31 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-(4-chlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-(4-chlorophenyl)furan-2-carboxamide
PubChem CID1112711
Molecular FormulaC24H15Cl2N3O2
Molecular Weight448.31 g/mol
Exact Mass447.05
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-(4-chlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C24H15Cl2N3O2/c25-15-7-5-14(6-8-15)21-11-12-22(31-21)24(30)27-16-9-10-18(26)17(13-16)23-28-19-3-1-2-4-20(19)29-23/h1-13H,(H,27,30)(H,28,29)
InChIKeyCYJAHYGPLXZHEO-UHFFFAOYSA-N
XLogP7.05
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.31
LogP ≤ 57.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide
CID 763448
N-(1H-benzimidazol-2-yl)-1-benzofuran-2-carboxamide
CID 2583514
N-[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 2192323
N-[3-(1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide
CID 655022
Furan-2-carboxylic acid [5-(1H-benzoimidazol-2-yl)-2-methyl-phenyl]-amide
CID 655922
N-[4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-2-furamide
CID 891770
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-chlorophenyl)-2-furamide
CID 1112705
N-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide
CID 2200072
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(3-nitrophenyl)-2-furamide
CID 3799745
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide
CID 5343894
6-chloro-2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1H-benzimidazole
CID 44530242
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 1108446

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-(4-chlorophenyl)furan-2-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-(4-chlorophenyl)furan-2-carboxamide (CID 1112711) is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-(4-chlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-(4-chlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-(4-chlorophenyl)furan-2-carboxamide is O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-(4-chlorophenyl)furan-2-carboxamide?
The InChIKey is CYJAHYGPLXZHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2N3O2/c25-15-7-5-14(6-8-15)21-11-12-22(31-21)24(30)27-16-9-10-18(26)17(13-16)23-28-19-3-1-2-4-20(19)29-23/h1-13H,(H,27,30)(H,28,29).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-(4-chlorophenyl)furan-2-carboxamide?
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-(4-chlorophenyl)furan-2-carboxamide has a molecular weight of 448.31 g/mol, XLogP of 7.05, 4 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-(4-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 1112711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).