2-chloro-1H-imidazole

C3H3ClN2 — CID 2773328

IUPAC2-chloro-1H-imidazole
SMILESClc1ncc[nH]1
InChIInChI=1S/C3H3ClN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
InChIKeyOCVXSFKKWXMYPF-UHFFFAOYSA-N
MW102.52 g/mol
LogP1.06
Rot. Bonds

About 2-chloro-1H-imidazole

2-chloro-1H-imidazole (PubChem CID 2773328) has the molecular formula C3H3ClN2 and a molecular weight of 102.52 g/mol. Its IUPAC name is 2-chloro-1H-imidazole.

Molecular Properties

Compound Name2-chloro-1H-imidazole
PubChem CID2773328
Molecular FormulaC3H3ClN2
Molecular Weight102.52 g/mol
Exact Mass102.00
IUPAC Name2-chloro-1H-imidazole
SMILESClc1ncc[nH]1
InChIInChI=1S/C3H3ClN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
InChIKeyOCVXSFKKWXMYPF-UHFFFAOYSA-N
XLogP1.06
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.52
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1H-imidazole?
The IUPAC name of 2-chloro-1H-imidazole (CID 2773328) is 2-chloro-1H-imidazole.
What is the SMILES notation for 2-chloro-1H-imidazole?
The canonical SMILES for 2-chloro-1H-imidazole is Clc1ncc[nH]1.
What is the InChIKey of 2-chloro-1H-imidazole?
The InChIKey is OCVXSFKKWXMYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3ClN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6).
What are the key properties of 2-chloro-1H-imidazole?
2-chloro-1H-imidazole has a molecular weight of 102.52 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1H-imidazole is sourced from PubChem (CID 2773328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).