3-(1H-benzimidazol-2-yl)-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrol-2-amine

C25H20N6 — CID 71450625

IUPAC3-(1H-benzimidazol-2-yl)-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrol-2-amine
SMILESNc1c(-c2nc3ccccc3[nH]2)cc(-c2ccccc2)n1Cc1nc2ccccc2[nH]1
InChIInChI=1S/C25H20N6/c26-24-17(25-29-20-12-6-7-13-21(20)30-25)14-22(16-8-2-1-3-9-16)31(24)15-23-27-18-10-4-5-11-19(18)28-23/h1-14H,15,26H2,(H,27,28)(H,29,30)
InChIKeyRFXVWTGESQOYGM-UHFFFAOYSA-N
MW404.48 g/mol
LogP5.21
Rot. Bonds4

About 3-(1H-benzimidazol-2-yl)-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrol-2-amine

3-(1H-benzimidazol-2-yl)-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrol-2-amine (PubChem CID 71450625) has the molecular formula C25H20N6 and a molecular weight of 404.48 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrol-2-amine.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrol-2-amine
PubChem CID71450625
Molecular FormulaC25H20N6
Molecular Weight404.48 g/mol
Exact Mass404.17
IUPAC Name3-(1H-benzimidazol-2-yl)-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrol-2-amine
SMILESNc1c(-c2nc3ccccc3[nH]2)cc(-c2ccccc2)n1Cc1nc2ccccc2[nH]1
InChIInChI=1S/C25H20N6/c26-24-17(25-29-20-12-6-7-13-21(20)30-25)14-22(16-8-2-1-3-9-16)31(24)15-23-27-18-10-4-5-11-19(18)28-23/h1-14H,15,26H2,(H,27,28)(H,29,30)
InChIKeyRFXVWTGESQOYGM-UHFFFAOYSA-N
XLogP5.21
TPSA88.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.48
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrol-2-amine?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrol-2-amine (CID 71450625) is 3-(1H-benzimidazol-2-yl)-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrol-2-amine.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrol-2-amine?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrol-2-amine is Nc1c(-c2nc3ccccc3[nH]2)cc(-c2ccccc2)n1Cc1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrol-2-amine?
The InChIKey is RFXVWTGESQOYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6/c26-24-17(25-29-20-12-6-7-13-21(20)30-25)14-22(16-8-2-1-3-9-16)31(24)15-23-27-18-10-4-5-11-19(18)28-23/h1-14H,15,26H2,(H,27,28)(H,29,30).
What are the key properties of 3-(1H-benzimidazol-2-yl)-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrol-2-amine?
3-(1H-benzimidazol-2-yl)-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrol-2-amine has a molecular weight of 404.48 g/mol, XLogP of 5.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-1-(1H-benzimidazol-2-ylmethyl)-5-phenylpyrrol-2-amine is sourced from PubChem (CID 71450625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).