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

C24H18N6 — CID 71459695

IUPAC1,3-bis(1H-benzimidazol-2-yl)-5-phenylpyrrol-2-amine
SMILESNc1c(-c2nc3ccccc3[nH]2)cc(-c2ccccc2)n1-c1nc2ccccc2[nH]1
InChIInChI=1S/C24H18N6/c25-22-16(23-26-17-10-4-5-11-18(17)27-23)14-21(15-8-2-1-3-9-15)30(22)24-28-19-12-6-7-13-20(19)29-24/h1-14H,25H2,(H,26,27)(H,28,29)
InChIKeyPCPSZMNWLIAYCN-UHFFFAOYSA-N
MW390.45 g/mol
LogP5.15
Rot. Bonds3

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

1,3-bis(1H-benzimidazol-2-yl)-5-phenylpyrrol-2-amine (PubChem CID 71459695) has the molecular formula C24H18N6 and a molecular weight of 390.45 g/mol. Its IUPAC name is 1,3-bis(1H-benzimidazol-2-yl)-5-phenylpyrrol-2-amine.

Molecular Properties

Compound Name1,3-bis(1H-benzimidazol-2-yl)-5-phenylpyrrol-2-amine
PubChem CID71459695
Molecular FormulaC24H18N6
Molecular Weight390.45 g/mol
Exact Mass390.16
IUPAC Name1,3-bis(1H-benzimidazol-2-yl)-5-phenylpyrrol-2-amine
SMILESNc1c(-c2nc3ccccc3[nH]2)cc(-c2ccccc2)n1-c1nc2ccccc2[nH]1
InChIInChI=1S/C24H18N6/c25-22-16(23-26-17-10-4-5-11-18(17)27-23)14-21(15-8-2-1-3-9-15)30(22)24-28-19-12-6-7-13-20(19)29-24/h1-14H,25H2,(H,26,27)(H,28,29)
InChIKeyPCPSZMNWLIAYCN-UHFFFAOYSA-N
XLogP5.15
TPSA88.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.45
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1H-benzimidazol-2-yl)-5-phenylpyrrol-2-amine?
The IUPAC name of 1,3-bis(1H-benzimidazol-2-yl)-5-phenylpyrrol-2-amine (CID 71459695) is 1,3-bis(1H-benzimidazol-2-yl)-5-phenylpyrrol-2-amine.
What is the SMILES notation for 1,3-bis(1H-benzimidazol-2-yl)-5-phenylpyrrol-2-amine?
The canonical SMILES for 1,3-bis(1H-benzimidazol-2-yl)-5-phenylpyrrol-2-amine is Nc1c(-c2nc3ccccc3[nH]2)cc(-c2ccccc2)n1-c1nc2ccccc2[nH]1.
What is the InChIKey of 1,3-bis(1H-benzimidazol-2-yl)-5-phenylpyrrol-2-amine?
The InChIKey is PCPSZMNWLIAYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6/c25-22-16(23-26-17-10-4-5-11-18(17)27-23)14-21(15-8-2-1-3-9-15)30(22)24-28-19-12-6-7-13-20(19)29-24/h1-14H,25H2,(H,26,27)(H,28,29).
What are the key properties of 1,3-bis(1H-benzimidazol-2-yl)-5-phenylpyrrol-2-amine?
1,3-bis(1H-benzimidazol-2-yl)-5-phenylpyrrol-2-amine has a molecular weight of 390.45 g/mol, XLogP of 5.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1H-benzimidazol-2-yl)-5-phenylpyrrol-2-amine is sourced from PubChem (CID 71459695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).