2-butyl-5-methyl-4-pyrrol-1-yl-1H-imidazole

C12H17N3 — CID 19106903

IUPAC2-butyl-5-methyl-4-pyrrol-1-yl-1H-imidazole
SMILESCCCCc1nc(-n2cccc2)c(C)[nH]1
InChIInChI=1S/C12H17N3/c1-3-4-7-11-13-10(2)12(14-11)15-8-5-6-9-15/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyGSVGYHXKTNBJMS-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.85
Rot. Bonds4

About 2-butyl-5-methyl-4-pyrrol-1-yl-1H-imidazole

2-butyl-5-methyl-4-pyrrol-1-yl-1H-imidazole (PubChem CID 19106903) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-butyl-5-methyl-4-pyrrol-1-yl-1H-imidazole.

Molecular Properties

Compound Name2-butyl-5-methyl-4-pyrrol-1-yl-1H-imidazole
PubChem CID19106903
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-butyl-5-methyl-4-pyrrol-1-yl-1H-imidazole
SMILESCCCCc1nc(-n2cccc2)c(C)[nH]1
InChIInChI=1S/C12H17N3/c1-3-4-7-11-13-10(2)12(14-11)15-8-5-6-9-15/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyGSVGYHXKTNBJMS-UHFFFAOYSA-N
XLogP2.85
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Pyrrol-1-yl-1H-imidazole
CID 22223704
2-(2-Pyrrolyl)histamine
CID 10012446
N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrol-3-amine
CID 10797364
Pyrrolylpyrrole
CID 21863152
1H-Pyrrolo[1,2-a]imidazole
CID 21876691
Pyrrolyl imidazole
CID 22675257
N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine
CID 69432817
N-(1H-pyrrol-2-yl)-1H-imidazol-2-amine
CID 91560703
1-(1h-Pyrrol-3-yl)-1h-imidazole
CID 129860124
2-(1H-pyrrol-3-yl)-1H-imidazole
CID 135834163
N-[3-(1H-imidazol-2-yl)propyl]-1-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-amine
CID 72890587
2-(1H-pyrrol-3-yl)-5-(trifluoromethyl)-1H-imidazole
CID 175193819

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-methyl-4-pyrrol-1-yl-1H-imidazole?
The IUPAC name of 2-butyl-5-methyl-4-pyrrol-1-yl-1H-imidazole (CID 19106903) is 2-butyl-5-methyl-4-pyrrol-1-yl-1H-imidazole.
What is the SMILES notation for 2-butyl-5-methyl-4-pyrrol-1-yl-1H-imidazole?
The canonical SMILES for 2-butyl-5-methyl-4-pyrrol-1-yl-1H-imidazole is CCCCc1nc(-n2cccc2)c(C)[nH]1.
What is the InChIKey of 2-butyl-5-methyl-4-pyrrol-1-yl-1H-imidazole?
The InChIKey is GSVGYHXKTNBJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-4-7-11-13-10(2)12(14-11)15-8-5-6-9-15/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of 2-butyl-5-methyl-4-pyrrol-1-yl-1H-imidazole?
2-butyl-5-methyl-4-pyrrol-1-yl-1H-imidazole has a molecular weight of 203.29 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-methyl-4-pyrrol-1-yl-1H-imidazole is sourced from PubChem (CID 19106903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).