1-[3-(2,5-dimethylpyrrol-1-yl)propyl]imidazole

C12H17N3 — CID 737222

IUPAC1-[3-(2,5-dimethylpyrrol-1-yl)propyl]imidazole
SMILESCc1ccc(C)n1CCCn1ccnc1
InChIInChI=1S/C12H17N3/c1-11-4-5-12(2)15(11)8-3-7-14-9-6-13-10-14/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyRVTJEACYMMLUDZ-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.39
Rot. Bonds4

About 1-[3-(2,5-dimethylpyrrol-1-yl)propyl]imidazole

1-[3-(2,5-dimethylpyrrol-1-yl)propyl]imidazole (PubChem CID 737222) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-[3-(2,5-dimethylpyrrol-1-yl)propyl]imidazole.

Molecular Properties

Compound Name1-[3-(2,5-dimethylpyrrol-1-yl)propyl]imidazole
PubChem CID737222
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name1-[3-(2,5-dimethylpyrrol-1-yl)propyl]imidazole
SMILESCc1ccc(C)n1CCCn1ccnc1
InChIInChI=1S/C12H17N3/c1-11-4-5-12(2)15(11)8-3-7-14-9-6-13-10-14/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyRVTJEACYMMLUDZ-UHFFFAOYSA-N
XLogP2.39
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dimethylpyrrol-1-yl)propyl]imidazole?
The IUPAC name of 1-[3-(2,5-dimethylpyrrol-1-yl)propyl]imidazole (CID 737222) is 1-[3-(2,5-dimethylpyrrol-1-yl)propyl]imidazole.
What is the SMILES notation for 1-[3-(2,5-dimethylpyrrol-1-yl)propyl]imidazole?
The canonical SMILES for 1-[3-(2,5-dimethylpyrrol-1-yl)propyl]imidazole is Cc1ccc(C)n1CCCn1ccnc1.
What is the InChIKey of 1-[3-(2,5-dimethylpyrrol-1-yl)propyl]imidazole?
The InChIKey is RVTJEACYMMLUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-11-4-5-12(2)15(11)8-3-7-14-9-6-13-10-14/h4-6,9-10H,3,7-8H2,1-2H3.
What are the key properties of 1-[3-(2,5-dimethylpyrrol-1-yl)propyl]imidazole?
1-[3-(2,5-dimethylpyrrol-1-yl)propyl]imidazole has a molecular weight of 203.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dimethylpyrrol-1-yl)propyl]imidazole is sourced from PubChem (CID 737222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).