3-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)-5-phenylpyrrol-2-amine

C23H17BrN4 — CID 71455978

IUPAC3-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)-5-phenylpyrrol-2-amine
SMILESNc1c(-c2nc3ccccc3[nH]2)cc(-c2ccccc2)n1-c1ccc(Br)cc1
InChIInChI=1S/C23H17BrN4/c24-16-10-12-17(13-11-16)28-21(15-6-2-1-3-7-15)14-18(22(28)25)23-26-19-8-4-5-9-20(19)27-23/h1-14H,25H2,(H,26,27)
InChIKeyBGAYCLAHBRWHEL-UHFFFAOYSA-N
MW429.32 g/mol
LogP6.03
Rot. Bonds3

About 3-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)-5-phenylpyrrol-2-amine

3-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)-5-phenylpyrrol-2-amine (PubChem CID 71455978) has the molecular formula C23H17BrN4 and a molecular weight of 429.32 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)-5-phenylpyrrol-2-amine.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)-5-phenylpyrrol-2-amine
PubChem CID71455978
Molecular FormulaC23H17BrN4
Molecular Weight429.32 g/mol
Exact Mass428.06
IUPAC Name3-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)-5-phenylpyrrol-2-amine
SMILESNc1c(-c2nc3ccccc3[nH]2)cc(-c2ccccc2)n1-c1ccc(Br)cc1
InChIInChI=1S/C23H17BrN4/c24-16-10-12-17(13-11-16)28-21(15-6-2-1-3-7-15)14-18(22(28)25)23-26-19-8-4-5-9-20(19)27-23/h1-14H,25H2,(H,26,27)
InChIKeyBGAYCLAHBRWHEL-UHFFFAOYSA-N
XLogP6.03
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.32
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)-5-phenylpyrrol-2-amine?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)-5-phenylpyrrol-2-amine (CID 71455978) is 3-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)-5-phenylpyrrol-2-amine.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)-5-phenylpyrrol-2-amine?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)-5-phenylpyrrol-2-amine is Nc1c(-c2nc3ccccc3[nH]2)cc(-c2ccccc2)n1-c1ccc(Br)cc1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)-5-phenylpyrrol-2-amine?
The InChIKey is BGAYCLAHBRWHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN4/c24-16-10-12-17(13-11-16)28-21(15-6-2-1-3-7-15)14-18(22(28)25)23-26-19-8-4-5-9-20(19)27-23/h1-14H,25H2,(H,26,27).
What are the key properties of 3-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)-5-phenylpyrrol-2-amine?
3-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)-5-phenylpyrrol-2-amine has a molecular weight of 429.32 g/mol, XLogP of 6.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)-5-phenylpyrrol-2-amine is sourced from PubChem (CID 71455978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).