3-[[1-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid

C28H30N6O5 — CID 3012671

IUPAC3-[[1-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(NC1(C(=O)Nc2cc(C(=O)O)[nH]n2)CCCC1)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1
InChIInChI=1S/C28H30N6O5/c35-25(31-28(11-4-5-12-28)27(38)30-23-15-21(26(36)37)32-33-23)17-8-9-22-20(14-17)29-24(18-10-13-39-16-18)34(22)19-6-2-1-3-7-19/h8-10,13-16,19H,1-7,11-12H2,(H,31,35)(H,36,37)(H2,30,32,33,38)
InChIKeyBYRDXWJDDAUFLB-UHFFFAOYSA-N
MW530.59 g/mol
LogP4.90
Rot. Bonds7

About 3-[[1-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid

3-[[1-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 3012671) has the molecular formula C28H30N6O5 and a molecular weight of 530.59 g/mol. Its IUPAC name is 3-[[1-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[[1-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid
PubChem CID3012671
Molecular FormulaC28H30N6O5
Molecular Weight530.59 g/mol
Exact Mass530.23
IUPAC Name3-[[1-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(NC1(C(=O)Nc2cc(C(=O)O)[nH]n2)CCCC1)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1
InChIInChI=1S/C28H30N6O5/c35-25(31-28(11-4-5-12-28)27(38)30-23-15-21(26(36)37)32-33-23)17-8-9-22-20(14-17)29-24(18-10-13-39-16-18)34(22)19-6-2-1-3-7-19/h8-10,13-16,19H,1-7,11-12H2,(H,31,35)(H,36,37)(H2,30,32,33,38)
InChIKeyBYRDXWJDDAUFLB-UHFFFAOYSA-N
XLogP4.90
TPSA155.14 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.59
LogP ≤ 54.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-[[1-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]-1H-pyrazole-5-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 3-[[1-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[[1-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid (CID 3012671) is 3-[[1-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[[1-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[[1-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid is O=C(NC1(C(=O)Nc2cc(C(=O)O)[nH]n2)CCCC1)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1.
What is the InChIKey of 3-[[1-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is BYRDXWJDDAUFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O5/c35-25(31-28(11-4-5-12-28)27(38)30-23-15-21(26(36)37)32-33-23)17-8-9-22-20(14-17)29-24(18-10-13-39-16-18)34(22)19-6-2-1-3-7-19/h8-10,13-16,19H,1-7,11-12H2,(H,31,35)(H,36,37)(H2,30,32,33,38).
What are the key properties of 3-[[1-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid?
3-[[1-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 530.59 g/mol, XLogP of 4.90, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]cyclopentanecarbonyl]amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 3012671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).