2-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)-1H-imidazole

C10H12N4 — CID 116877459

IUPAC2-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)-1H-imidazole
SMILESc1c[nH]c(-c2cnc(C3CNC3)[nH]2)c1
InChIInChI=1S/C10H12N4/c1-2-8(12-3-1)9-6-13-10(14-9)7-4-11-5-7/h1-3,6-7,11-12H,4-5H2,(H,13,14)
InChIKeyMHVRJVWJSGTTJD-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.09
Rot. Bonds2

About 2-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)-1H-imidazole

2-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)-1H-imidazole (PubChem CID 116877459) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)-1H-imidazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)-1H-imidazole
PubChem CID116877459
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name2-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)-1H-imidazole
SMILESc1c[nH]c(-c2cnc(C3CNC3)[nH]2)c1
InChIInChI=1S/C10H12N4/c1-2-8(12-3-1)9-6-13-10(14-9)7-4-11-5-7/h1-3,6-7,11-12H,4-5H2,(H,13,14)
InChIKeyMHVRJVWJSGTTJD-UHFFFAOYSA-N
XLogP1.09
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)-1H-imidazole?
The IUPAC name of 2-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)-1H-imidazole (CID 116877459) is 2-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)-1H-imidazole.
What is the SMILES notation for 2-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)-1H-imidazole?
The canonical SMILES for 2-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)-1H-imidazole is c1c[nH]c(-c2cnc(C3CNC3)[nH]2)c1.
What is the InChIKey of 2-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)-1H-imidazole?
The InChIKey is MHVRJVWJSGTTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-2-8(12-3-1)9-6-13-10(14-9)7-4-11-5-7/h1-3,6-7,11-12H,4-5H2,(H,13,14).
What are the key properties of 2-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)-1H-imidazole?
2-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)-1H-imidazole has a molecular weight of 188.23 g/mol, XLogP of 1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)-1H-imidazole is sourced from PubChem (CID 116877459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).