5-amino-4-(1H-benzimidazol-2-yl)-1-(1H-pyrazol-5-yl)pyrrol-3-ol

C14H12N6O — CID 123333781

IUPAC5-amino-4-(1H-benzimidazol-2-yl)-1-(1H-pyrazol-5-yl)pyrrol-3-ol
SMILESNc1c(-c2nc3ccccc3[nH]2)c(O)cn1-c1ccn[nH]1
InChIInChI=1S/C14H12N6O/c15-13-12(10(21)7-20(13)11-5-6-16-19-11)14-17-8-3-1-2-4-9(8)18-14/h1-7,21H,15H2,(H,16,19)(H,17,18)
InChIKeyGNEFYHAXHYFDFG-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.03
Rot. Bonds2

About 5-amino-4-(1H-benzimidazol-2-yl)-1-(1H-pyrazol-5-yl)pyrrol-3-ol

5-amino-4-(1H-benzimidazol-2-yl)-1-(1H-pyrazol-5-yl)pyrrol-3-ol (PubChem CID 123333781) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is 5-amino-4-(1H-benzimidazol-2-yl)-1-(1H-pyrazol-5-yl)pyrrol-3-ol.

Molecular Properties

Compound Name5-amino-4-(1H-benzimidazol-2-yl)-1-(1H-pyrazol-5-yl)pyrrol-3-ol
PubChem CID123333781
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name5-amino-4-(1H-benzimidazol-2-yl)-1-(1H-pyrazol-5-yl)pyrrol-3-ol
SMILESNc1c(-c2nc3ccccc3[nH]2)c(O)cn1-c1ccn[nH]1
InChIInChI=1S/C14H12N6O/c15-13-12(10(21)7-20(13)11-5-6-16-19-11)14-17-8-3-1-2-4-9(8)18-14/h1-7,21H,15H2,(H,16,19)(H,17,18)
InChIKeyGNEFYHAXHYFDFG-UHFFFAOYSA-N
XLogP2.03
TPSA108.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(1H-benzimidazol-2-yl)-1-(1H-pyrazol-5-yl)pyrrol-3-ol?
The IUPAC name of 5-amino-4-(1H-benzimidazol-2-yl)-1-(1H-pyrazol-5-yl)pyrrol-3-ol (CID 123333781) is 5-amino-4-(1H-benzimidazol-2-yl)-1-(1H-pyrazol-5-yl)pyrrol-3-ol.
What is the SMILES notation for 5-amino-4-(1H-benzimidazol-2-yl)-1-(1H-pyrazol-5-yl)pyrrol-3-ol?
The canonical SMILES for 5-amino-4-(1H-benzimidazol-2-yl)-1-(1H-pyrazol-5-yl)pyrrol-3-ol is Nc1c(-c2nc3ccccc3[nH]2)c(O)cn1-c1ccn[nH]1.
What is the InChIKey of 5-amino-4-(1H-benzimidazol-2-yl)-1-(1H-pyrazol-5-yl)pyrrol-3-ol?
The InChIKey is GNEFYHAXHYFDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c15-13-12(10(21)7-20(13)11-5-6-16-19-11)14-17-8-3-1-2-4-9(8)18-14/h1-7,21H,15H2,(H,16,19)(H,17,18).
What are the key properties of 5-amino-4-(1H-benzimidazol-2-yl)-1-(1H-pyrazol-5-yl)pyrrol-3-ol?
5-amino-4-(1H-benzimidazol-2-yl)-1-(1H-pyrazol-5-yl)pyrrol-3-ol has a molecular weight of 280.29 g/mol, XLogP of 2.03, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(1H-benzimidazol-2-yl)-1-(1H-pyrazol-5-yl)pyrrol-3-ol is sourced from PubChem (CID 123333781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).