4-(1H-imidazol-2-yl)-2-methyl-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)imidazole

C14H13N7 — CID 141053707

IUPAC4-(1H-imidazol-2-yl)-2-methyl-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)imidazole
SMILESCc1nc(-c2ncc[nH]2)c(-c2ccn[nH]2)n1-c1ccc[nH]1
InChIInChI=1S/C14H13N7/c1-9-19-12(14-16-7-8-17-14)13(10-4-6-18-20-10)21(9)11-3-2-5-15-11/h2-8,15H,1H3,(H,16,17)(H,18,20)
InChIKeyDITVUYBNUZLHIV-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.29
Rot. Bonds3

About 4-(1H-imidazol-2-yl)-2-methyl-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)imidazole

4-(1H-imidazol-2-yl)-2-methyl-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)imidazole (PubChem CID 141053707) has the molecular formula C14H13N7 and a molecular weight of 279.31 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-2-methyl-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)imidazole.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-2-methyl-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)imidazole
PubChem CID141053707
Molecular FormulaC14H13N7
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name4-(1H-imidazol-2-yl)-2-methyl-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)imidazole
SMILESCc1nc(-c2ncc[nH]2)c(-c2ccn[nH]2)n1-c1ccc[nH]1
InChIInChI=1S/C14H13N7/c1-9-19-12(14-16-7-8-17-14)13(10-4-6-18-20-10)21(9)11-3-2-5-15-11/h2-8,15H,1H3,(H,16,17)(H,18,20)
InChIKeyDITVUYBNUZLHIV-UHFFFAOYSA-N
XLogP2.29
TPSA90.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-2-methyl-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)imidazole?
The IUPAC name of 4-(1H-imidazol-2-yl)-2-methyl-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)imidazole (CID 141053707) is 4-(1H-imidazol-2-yl)-2-methyl-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)imidazole.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-2-methyl-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)imidazole?
The canonical SMILES for 4-(1H-imidazol-2-yl)-2-methyl-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)imidazole is Cc1nc(-c2ncc[nH]2)c(-c2ccn[nH]2)n1-c1ccc[nH]1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-2-methyl-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)imidazole?
The InChIKey is DITVUYBNUZLHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7/c1-9-19-12(14-16-7-8-17-14)13(10-4-6-18-20-10)21(9)11-3-2-5-15-11/h2-8,15H,1H3,(H,16,17)(H,18,20).
What are the key properties of 4-(1H-imidazol-2-yl)-2-methyl-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)imidazole?
4-(1H-imidazol-2-yl)-2-methyl-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)imidazole has a molecular weight of 279.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-2-methyl-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)imidazole is sourced from PubChem (CID 141053707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).