1-[(6-chloro-1H-benzimidazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid

C25H19ClN4O3 — CID 25168645

About 1-[(6-chloro-1H-benzimidazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid

1-[(6-chloro-1H-benzimidazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid (PubChem CID 25168645) has the molecular formula C25H19ClN4O3 and a molecular weight of 458.91 g/mol. Its IUPAC name is 1-[(6-chloro-1H-benzimidazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid.

Molecular Properties

• Compound Name: 1-[(6-chloro-1H-benzimidazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid
• PubChem CID: 25168645
• Molecular Formula: C25H19ClN4O3
• Molecular Weight: 458.91 g/mol
• Exact Mass: 458.11
• IUPAC Name: 1-[(6-chloro-1H-benzimidazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid
• SMILES: O=C(O)c1c(-c2ccc[nH]c2=O)c2cc3c(cc2n1Cc1cc(Cl)cc2[nH]cnc12)CCC3
• InChI: InChI=1S/C25H19ClN4O3/c26-16-7-15(22-19(10-16)28-12-29-22)11-30-20-9-14-4-1-3-13(14)8-18(20)21(23(30)25(32)33)17-5-2-6-27-24(17)31/h2,5-10,12H,1,3-4,11H2,(H,27,31)(H,28,29)(H,32,33)
• InChIKey: OWUWMLQSDKIIMG-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 103.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.91
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-1H-benzimidazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid?

The IUPAC name of 1-[(6-chloro-1H-benzimidazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid (CID 25168645) is 1-[(6-chloro-1H-benzimidazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid.

What is the SMILES notation for 1-[(6-chloro-1H-benzimidazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid?

The canonical SMILES for 1-[(6-chloro-1H-benzimidazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid is O=C(O)c1c(-c2ccc[nH]c2=O)c2cc3c(cc2n1Cc1cc(Cl)cc2[nH]cnc12)CCC3.

What is the InChIKey of 1-[(6-chloro-1H-benzimidazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid?

The InChIKey is OWUWMLQSDKIIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O3/c26-16-7-15(22-19(10-16)28-12-29-22)11-30-20-9-14-4-1-3-13(14)8-18(20)21(23(30)25(32)33)17-5-2-6-27-24(17)31/h2,5-10,12H,1,3-4,11H2,(H,27,31)(H,28,29)(H,32,33).

What are the key properties of 1-[(6-chloro-1H-benzimidazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid?

1-[(6-chloro-1H-benzimidazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid has a molecular weight of 458.91 g/mol, XLogP of 4.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6-chloro-1H-benzimidazol-4-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxylic acid is sourced from PubChem (CID 25168645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).