2-[(1,5-dimethylpyrrol-2-yl)methyl]-1H-imidazole

C10H13N3 — CID 170198207

IUPAC2-[(1,5-dimethylpyrrol-2-yl)methyl]-1H-imidazole
SMILESCc1ccc(Cc2ncc[nH]2)n1C
InChIInChI=1S/C10H13N3/c1-8-3-4-9(13(8)2)7-10-11-5-6-12-10/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeyUTLDOOGUVNCTLL-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.65
Rot. Bonds2

About 2-[(1,5-dimethylpyrrol-2-yl)methyl]-1H-imidazole

2-[(1,5-dimethylpyrrol-2-yl)methyl]-1H-imidazole (PubChem CID 170198207) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrrol-2-yl)methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrrol-2-yl)methyl]-1H-imidazole
PubChem CID170198207
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name2-[(1,5-dimethylpyrrol-2-yl)methyl]-1H-imidazole
SMILESCc1ccc(Cc2ncc[nH]2)n1C
InChIInChI=1S/C10H13N3/c1-8-3-4-9(13(8)2)7-10-11-5-6-12-10/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeyUTLDOOGUVNCTLL-UHFFFAOYSA-N
XLogP1.65
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrrol-2-yl)methyl]-1H-imidazole?
The IUPAC name of 2-[(1,5-dimethylpyrrol-2-yl)methyl]-1H-imidazole (CID 170198207) is 2-[(1,5-dimethylpyrrol-2-yl)methyl]-1H-imidazole.
What is the SMILES notation for 2-[(1,5-dimethylpyrrol-2-yl)methyl]-1H-imidazole?
The canonical SMILES for 2-[(1,5-dimethylpyrrol-2-yl)methyl]-1H-imidazole is Cc1ccc(Cc2ncc[nH]2)n1C.
What is the InChIKey of 2-[(1,5-dimethylpyrrol-2-yl)methyl]-1H-imidazole?
The InChIKey is UTLDOOGUVNCTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-8-3-4-9(13(8)2)7-10-11-5-6-12-10/h3-6H,7H2,1-2H3,(H,11,12).
What are the key properties of 2-[(1,5-dimethylpyrrol-2-yl)methyl]-1H-imidazole?
2-[(1,5-dimethylpyrrol-2-yl)methyl]-1H-imidazole has a molecular weight of 175.23 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrrol-2-yl)methyl]-1H-imidazole is sourced from PubChem (CID 170198207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).