5-[4-[2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoylamino]phenyl]furan-2-carboxylic acid

C32H30N4O6 — CID 3012680

IUPAC5-[4-[2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoylamino]phenyl]furan-2-carboxylic acid
SMILESCC(NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1)C(=O)Nc1ccc(-c2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C32H30N4O6/c1-19(30(37)34-23-10-7-20(8-11-23)27-13-14-28(42-27)32(39)40)33-31(38)21-9-12-26-25(17-21)35-29(22-15-16-41-18-22)36(26)24-5-3-2-4-6-24/h7-19,24H,2-6H2,1H3,(H,33,38)(H,34,37)(H,39,40)
InChIKeySKHSJJZUMHKTGD-UHFFFAOYSA-N
MW566.61 g/mol
LogP6.52
Rot. Bonds8

About 5-[4-[2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoylamino]phenyl]furan-2-carboxylic acid

5-[4-[2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoylamino]phenyl]furan-2-carboxylic acid (PubChem CID 3012680) has the molecular formula C32H30N4O6 and a molecular weight of 566.61 g/mol. Its IUPAC name is 5-[4-[2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoylamino]phenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-[2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoylamino]phenyl]furan-2-carboxylic acid
PubChem CID3012680
Molecular FormulaC32H30N4O6
Molecular Weight566.61 g/mol
Exact Mass566.22
IUPAC Name5-[4-[2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoylamino]phenyl]furan-2-carboxylic acid
SMILESCC(NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1)C(=O)Nc1ccc(-c2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C32H30N4O6/c1-19(30(37)34-23-10-7-20(8-11-23)27-13-14-28(42-27)32(39)40)33-31(38)21-9-12-26-25(17-21)35-29(22-15-16-41-18-22)36(26)24-5-3-2-4-6-24/h7-19,24H,2-6H2,1H3,(H,33,38)(H,34,37)(H,39,40)
InChIKeySKHSJJZUMHKTGD-UHFFFAOYSA-N
XLogP6.52
TPSA139.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.61
LogP ≤ 56.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[4-[2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoylamino]phenyl]furan-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoylamino]phenyl]furan-2-carboxylic acid?
The IUPAC name of 5-[4-[2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoylamino]phenyl]furan-2-carboxylic acid (CID 3012680) is 5-[4-[2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoylamino]phenyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[4-[2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoylamino]phenyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[4-[2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoylamino]phenyl]furan-2-carboxylic acid is CC(NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1)C(=O)Nc1ccc(-c2ccc(C(=O)O)o2)cc1.
What is the InChIKey of 5-[4-[2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoylamino]phenyl]furan-2-carboxylic acid?
The InChIKey is SKHSJJZUMHKTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O6/c1-19(30(37)34-23-10-7-20(8-11-23)27-13-14-28(42-27)32(39)40)33-31(38)21-9-12-26-25(17-21)35-29(22-15-16-41-18-22)36(26)24-5-3-2-4-6-24/h7-19,24H,2-6H2,1H3,(H,33,38)(H,34,37)(H,39,40).
What are the key properties of 5-[4-[2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoylamino]phenyl]furan-2-carboxylic acid?
5-[4-[2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoylamino]phenyl]furan-2-carboxylic acid has a molecular weight of 566.61 g/mol, XLogP of 6.52, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoylamino]phenyl]furan-2-carboxylic acid is sourced from PubChem (CID 3012680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).