3-(1H-benzimidazol-2-yl)-5-phenyl-1-pyridin-4-ylpyrrol-2-amine

C22H17N5 — CID 71455977

IUPAC3-(1H-benzimidazol-2-yl)-5-phenyl-1-pyridin-4-ylpyrrol-2-amine
SMILESNc1c(-c2nc3ccccc3[nH]2)cc(-c2ccccc2)n1-c1ccncc1
InChIInChI=1S/C22H17N5/c23-21-17(22-25-18-8-4-5-9-19(18)26-22)14-20(15-6-2-1-3-7-15)27(21)16-10-12-24-13-11-16/h1-14H,23H2,(H,25,26)
InChIKeyJDJRWUTUZSNGRL-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.66
Rot. Bonds3

About 3-(1H-benzimidazol-2-yl)-5-phenyl-1-pyridin-4-ylpyrrol-2-amine

3-(1H-benzimidazol-2-yl)-5-phenyl-1-pyridin-4-ylpyrrol-2-amine (PubChem CID 71455977) has the molecular formula C22H17N5 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-5-phenyl-1-pyridin-4-ylpyrrol-2-amine.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-5-phenyl-1-pyridin-4-ylpyrrol-2-amine
PubChem CID71455977
Molecular FormulaC22H17N5
Molecular Weight351.41 g/mol
Exact Mass351.15
IUPAC Name3-(1H-benzimidazol-2-yl)-5-phenyl-1-pyridin-4-ylpyrrol-2-amine
SMILESNc1c(-c2nc3ccccc3[nH]2)cc(-c2ccccc2)n1-c1ccncc1
InChIInChI=1S/C22H17N5/c23-21-17(22-25-18-8-4-5-9-19(18)26-22)14-20(15-6-2-1-3-7-15)27(21)16-10-12-24-13-11-16/h1-14H,23H2,(H,25,26)
InChIKeyJDJRWUTUZSNGRL-UHFFFAOYSA-N
XLogP4.66
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-5-phenyl-1-pyridin-4-ylpyrrol-2-amine?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-5-phenyl-1-pyridin-4-ylpyrrol-2-amine (CID 71455977) is 3-(1H-benzimidazol-2-yl)-5-phenyl-1-pyridin-4-ylpyrrol-2-amine.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-5-phenyl-1-pyridin-4-ylpyrrol-2-amine?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-5-phenyl-1-pyridin-4-ylpyrrol-2-amine is Nc1c(-c2nc3ccccc3[nH]2)cc(-c2ccccc2)n1-c1ccncc1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-5-phenyl-1-pyridin-4-ylpyrrol-2-amine?
The InChIKey is JDJRWUTUZSNGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5/c23-21-17(22-25-18-8-4-5-9-19(18)26-22)14-20(15-6-2-1-3-7-15)27(21)16-10-12-24-13-11-16/h1-14H,23H2,(H,25,26).
What are the key properties of 3-(1H-benzimidazol-2-yl)-5-phenyl-1-pyridin-4-ylpyrrol-2-amine?
3-(1H-benzimidazol-2-yl)-5-phenyl-1-pyridin-4-ylpyrrol-2-amine has a molecular weight of 351.41 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-5-phenyl-1-pyridin-4-ylpyrrol-2-amine is sourced from PubChem (CID 71455977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).