7-[7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole

C26H25FN6 — CID 70863143

IUPAC7-[7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole
SMILESFc1cc(-c2ccc3c(ccc4[nH]c([C@@H]5CCCN5)nc43)c2)cc2[nH]c([C@@H]3CCCN3)nc12
InChIInChI=1S/C26H25FN6/c27-18-12-16(13-22-24(18)33-26(31-22)21-4-2-10-29-21)14-5-7-17-15(11-14)6-8-19-23(17)32-25(30-19)20-3-1-9-28-20/h5-8,11-13,20-21,28-29H,1-4,9-10H2,(H,30,32)(H,31,33)/t20-,21-/m0/s1
InChIKeyAQUMUDYOTINSES-SFTDATJTSA-N
MW440.53 g/mol
LogP5.25
Rot. Bonds3

About 7-[7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole

7-[7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole (PubChem CID 70863143) has the molecular formula C26H25FN6 and a molecular weight of 440.53 g/mol. Its IUPAC name is 7-[7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole.

Molecular Properties

Compound Name7-[7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole
PubChem CID70863143
Molecular FormulaC26H25FN6
Molecular Weight440.53 g/mol
Exact Mass440.21
IUPAC Name7-[7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole
SMILESFc1cc(-c2ccc3c(ccc4[nH]c([C@@H]5CCCN5)nc43)c2)cc2[nH]c([C@@H]3CCCN3)nc12
InChIInChI=1S/C26H25FN6/c27-18-12-16(13-22-24(18)33-26(31-22)21-4-2-10-29-21)14-5-7-17-15(11-14)6-8-19-23(17)32-25(30-19)20-3-1-9-28-20/h5-8,11-13,20-21,28-29H,1-4,9-10H2,(H,30,32)(H,31,33)/t20-,21-/m0/s1
InChIKeyAQUMUDYOTINSES-SFTDATJTSA-N
XLogP5.25
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.53
LogP ≤ 55.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 7-[7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole 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 7-[7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole?
The IUPAC name of 7-[7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole (CID 70863143) is 7-[7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole.
What is the SMILES notation for 7-[7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole?
The canonical SMILES for 7-[7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole is Fc1cc(-c2ccc3c(ccc4[nH]c([C@@H]5CCCN5)nc43)c2)cc2[nH]c([C@@H]3CCCN3)nc12.
What is the InChIKey of 7-[7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole?
The InChIKey is AQUMUDYOTINSES-SFTDATJTSA-N. The full InChI is InChI=1S/C26H25FN6/c27-18-12-16(13-22-24(18)33-26(31-22)21-4-2-10-29-21)14-5-7-17-15(11-14)6-8-19-23(17)32-25(30-19)20-3-1-9-28-20/h5-8,11-13,20-21,28-29H,1-4,9-10H2,(H,30,32)(H,31,33)/t20-,21-/m0/s1.
What are the key properties of 7-[7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole?
7-[7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole has a molecular weight of 440.53 g/mol, XLogP of 5.25, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole is sourced from PubChem (CID 70863143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).