5-chloro-N-[4-[2-(6-chloro-1H-benzimidazol-2-yl)-2-oxoethyl]cyclohexyl]-1-benzofuran-2-carboxamide

C24H21Cl2N3O3 — CID 158815548

IUPAC5-chloro-N-[4-[2-(6-chloro-1H-benzimidazol-2-yl)-2-oxoethyl]cyclohexyl]-1-benzofuran-2-carboxamide
SMILESO=C(CC1CCC(NC(=O)c2cc3cc(Cl)ccc3o2)CC1)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C24H21Cl2N3O3/c25-15-4-8-21-14(10-15)11-22(32-21)24(31)27-17-5-1-13(2-6-17)9-20(30)23-28-18-7-3-16(26)12-19(18)29-23/h3-4,7-8,10-13,17H,1-2,5-6,9H2,(H,27,31)(H,28,29)
InChIKeyIVFIYYBUZDHYRC-UHFFFAOYSA-N
MW470.36 g/mol
LogP6.18
Rot. Bonds5

About 5-chloro-N-[4-[2-(6-chloro-1H-benzimidazol-2-yl)-2-oxoethyl]cyclohexyl]-1-benzofuran-2-carboxamide

5-chloro-N-[4-[2-(6-chloro-1H-benzimidazol-2-yl)-2-oxoethyl]cyclohexyl]-1-benzofuran-2-carboxamide (PubChem CID 158815548) has the molecular formula C24H21Cl2N3O3 and a molecular weight of 470.36 g/mol. Its IUPAC name is 5-chloro-N-[4-[2-(6-chloro-1H-benzimidazol-2-yl)-2-oxoethyl]cyclohexyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[2-(6-chloro-1H-benzimidazol-2-yl)-2-oxoethyl]cyclohexyl]-1-benzofuran-2-carboxamide
PubChem CID158815548
Molecular FormulaC24H21Cl2N3O3
Molecular Weight470.36 g/mol
Exact Mass469.10
IUPAC Name5-chloro-N-[4-[2-(6-chloro-1H-benzimidazol-2-yl)-2-oxoethyl]cyclohexyl]-1-benzofuran-2-carboxamide
SMILESO=C(CC1CCC(NC(=O)c2cc3cc(Cl)ccc3o2)CC1)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C24H21Cl2N3O3/c25-15-4-8-21-14(10-15)11-22(32-21)24(31)27-17-5-1-13(2-6-17)9-20(30)23-28-18-7-3-16(26)12-19(18)29-23/h3-4,7-8,10-13,17H,1-2,5-6,9H2,(H,27,31)(H,28,29)
InChIKeyIVFIYYBUZDHYRC-UHFFFAOYSA-N
XLogP6.18
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.36
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[4-[2-(6-chloro-1H-benzimidazol-2-yl)-2-oxoethyl]cyclohexyl]-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

N-(1H-benzimidazol-2-yl)-1-benzofuran-2-carboxamide
CID 2583514
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-chlorophenyl)-2-furamide
CID 1112705
2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-6-fluoro-1H-benzimidazole
CID 44530241
6-chloro-2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-1H-benzimidazole
CID 44530242
2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-5,6-difluoro-1H-benzimidazole
CID 44530260
2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-4,5-difluoro-1H-benzimidazole
CID 44530261
2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-6-(trifluoromethyl)-1H-benzimidazole
CID 44530262
2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-4-fluoro-1H-benzimidazole
CID 44530389
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 1108446
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-(4-chlorophenyl)-2-furamide
CID 1112711
N-(1H-benzimidazol-2-yl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 2547579
2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-6-(2-pyrrolidin-1-ylethyl)-1H-benzimidazole;hydrochloride
CID 44530677

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[2-(6-chloro-1H-benzimidazol-2-yl)-2-oxoethyl]cyclohexyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-[2-(6-chloro-1H-benzimidazol-2-yl)-2-oxoethyl]cyclohexyl]-1-benzofuran-2-carboxamide (CID 158815548) is 5-chloro-N-[4-[2-(6-chloro-1H-benzimidazol-2-yl)-2-oxoethyl]cyclohexyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[2-(6-chloro-1H-benzimidazol-2-yl)-2-oxoethyl]cyclohexyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[2-(6-chloro-1H-benzimidazol-2-yl)-2-oxoethyl]cyclohexyl]-1-benzofuran-2-carboxamide is O=C(CC1CCC(NC(=O)c2cc3cc(Cl)ccc3o2)CC1)c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 5-chloro-N-[4-[2-(6-chloro-1H-benzimidazol-2-yl)-2-oxoethyl]cyclohexyl]-1-benzofuran-2-carboxamide?
The InChIKey is IVFIYYBUZDHYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O3/c25-15-4-8-21-14(10-15)11-22(32-21)24(31)27-17-5-1-13(2-6-17)9-20(30)23-28-18-7-3-16(26)12-19(18)29-23/h3-4,7-8,10-13,17H,1-2,5-6,9H2,(H,27,31)(H,28,29).
What are the key properties of 5-chloro-N-[4-[2-(6-chloro-1H-benzimidazol-2-yl)-2-oxoethyl]cyclohexyl]-1-benzofuran-2-carboxamide?
5-chloro-N-[4-[2-(6-chloro-1H-benzimidazol-2-yl)-2-oxoethyl]cyclohexyl]-1-benzofuran-2-carboxamide has a molecular weight of 470.36 g/mol, XLogP of 6.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[2-(6-chloro-1H-benzimidazol-2-yl)-2-oxoethyl]cyclohexyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 158815548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).