1-chloro-2-methylimidazole

C4H5ClN2 — CID 102183392

IUPAC1-chloro-2-methylimidazole
SMILESCc1nccn1Cl
InChIInChI=1S/C4H5ClN2/c1-4-6-2-3-7(4)5/h2-3H,1H3
InChIKeyRDTSBRYDNVBWDT-UHFFFAOYSA-N
MW116.55 g/mol
LogP1.19
Rot. Bonds

About 1-chloro-2-methylimidazole

1-chloro-2-methylimidazole (PubChem CID 102183392) has the molecular formula C4H5ClN2 and a molecular weight of 116.55 g/mol. Its IUPAC name is 1-chloro-2-methylimidazole.

Molecular Properties

Compound Name1-chloro-2-methylimidazole
PubChem CID102183392
Molecular FormulaC4H5ClN2
Molecular Weight116.55 g/mol
Exact Mass116.01
IUPAC Name1-chloro-2-methylimidazole
SMILESCc1nccn1Cl
InChIInChI=1S/C4H5ClN2/c1-4-6-2-3-7(4)5/h2-3H,1H3
InChIKeyRDTSBRYDNVBWDT-UHFFFAOYSA-N
XLogP1.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.55
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylimidazole?
The IUPAC name of 1-chloro-2-methylimidazole (CID 102183392) is 1-chloro-2-methylimidazole.
What is the SMILES notation for 1-chloro-2-methylimidazole?
The canonical SMILES for 1-chloro-2-methylimidazole is Cc1nccn1Cl.
What is the InChIKey of 1-chloro-2-methylimidazole?
The InChIKey is RDTSBRYDNVBWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2/c1-4-6-2-3-7(4)5/h2-3H,1H3.
What are the key properties of 1-chloro-2-methylimidazole?
1-chloro-2-methylimidazole has a molecular weight of 116.55 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylimidazole is sourced from PubChem (CID 102183392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).