5-(2H-pyrrol-2-yl)-1H-imidazole

C7H7N3 — CID 173165829

IUPAC5-(2H-pyrrol-2-yl)-1H-imidazole
SMILESC1=CC(c2cnc[nH]2)N=C1
InChIInChI=1S/C7H7N3/c1-2-6(9-3-1)7-4-8-5-10-7/h1-6H,(H,8,10)
InChIKeyFPXPHNMSMQTDFC-UHFFFAOYSA-N
MW133.15 g/mol
LogP1.09
Rot. Bonds1

About 5-(2H-pyrrol-2-yl)-1H-imidazole

5-(2H-pyrrol-2-yl)-1H-imidazole (PubChem CID 173165829) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 5-(2H-pyrrol-2-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(2H-pyrrol-2-yl)-1H-imidazole
PubChem CID173165829
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name5-(2H-pyrrol-2-yl)-1H-imidazole
SMILESC1=CC(c2cnc[nH]2)N=C1
InChIInChI=1S/C7H7N3/c1-2-6(9-3-1)7-4-8-5-10-7/h1-6H,(H,8,10)
InChIKeyFPXPHNMSMQTDFC-UHFFFAOYSA-N
XLogP1.09
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole
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5-(2-methylcyclopropyl)-1H-imidazole
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5-(2-bicyclo[2.2.1]hept-5-enyl)-1H-imidazole
CID 91700479
trans-(1S,2S)-2-(1H-imidazol-5-yl)cyclopentan-1-amine
CID 10240978
5-(3-deuteriooxetan-3-yl)-1H-imidazole
CID 175941981
4-(1H-imidazol-5-yl)piperidine-1-carbaldehyde
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5-[(3R)-4-methylpyrrolidin-3-yl]-1H-imidazole
CID 143109546
5-pyrrolidin-3-yl-1H-imidazole;dihydrochloride
CID 75485523
2-(1H-imidazol-5-yl)cyclopropane-1-carbaldehyde
CID 19593166
1-[3-(1H-imidazol-5-yl)cyclopentyl]ethanethiol
CID 163438726
(2R,3S,4R)-2-(1H-imidazol-5-yl)oxolane-3,4-diol
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2-(1H-imidazol-5-yl)imidazolidin-4-one
CID 130626226

Frequently Asked Questions

What is the IUPAC name of 5-(2H-pyrrol-2-yl)-1H-imidazole?
The IUPAC name of 5-(2H-pyrrol-2-yl)-1H-imidazole (CID 173165829) is 5-(2H-pyrrol-2-yl)-1H-imidazole.
What is the SMILES notation for 5-(2H-pyrrol-2-yl)-1H-imidazole?
The canonical SMILES for 5-(2H-pyrrol-2-yl)-1H-imidazole is C1=CC(c2cnc[nH]2)N=C1.
What is the InChIKey of 5-(2H-pyrrol-2-yl)-1H-imidazole?
The InChIKey is FPXPHNMSMQTDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-2-6(9-3-1)7-4-8-5-10-7/h1-6H,(H,8,10).
What are the key properties of 5-(2H-pyrrol-2-yl)-1H-imidazole?
5-(2H-pyrrol-2-yl)-1H-imidazole has a molecular weight of 133.15 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-pyrrol-2-yl)-1H-imidazole is sourced from PubChem (CID 173165829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).