(2E)-4-chloro-2-ethylideneimidazole

C5H5ClN2 — CID 146660822

IUPAC(2E)-4-chloro-2-ethylideneimidazole
SMILESC/C=C1\N=CC(Cl)=N1
InChIInChI=1S/C5H5ClN2/c1-2-5-7-3-4(6)8-5/h2-3H,1H3/b5-2+
InChIKeyDDPOYYDKMSUFSR-GORDUTHDSA-N
MW128.56 g/mol
LogP1.57
Rot. Bonds

About (2E)-4-chloro-2-ethylideneimidazole

(2E)-4-chloro-2-ethylideneimidazole (PubChem CID 146660822) has the molecular formula C5H5ClN2 and a molecular weight of 128.56 g/mol. Its IUPAC name is (2E)-4-chloro-2-ethylideneimidazole.

Molecular Properties

Compound Name(2E)-4-chloro-2-ethylideneimidazole
PubChem CID146660822
Molecular FormulaC5H5ClN2
Molecular Weight128.56 g/mol
Exact Mass128.01
IUPAC Name(2E)-4-chloro-2-ethylideneimidazole
SMILESC/C=C1\N=CC(Cl)=N1
InChIInChI=1S/C5H5ClN2/c1-2-5-7-3-4(6)8-5/h2-3H,1H3/b5-2+
InChIKeyDDPOYYDKMSUFSR-GORDUTHDSA-N
XLogP1.57
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.56
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-4-chloro-2-ethylideneimidazole?
The IUPAC name of (2E)-4-chloro-2-ethylideneimidazole (CID 146660822) is (2E)-4-chloro-2-ethylideneimidazole.
What is the SMILES notation for (2E)-4-chloro-2-ethylideneimidazole?
The canonical SMILES for (2E)-4-chloro-2-ethylideneimidazole is C/C=C1\N=CC(Cl)=N1.
What is the InChIKey of (2E)-4-chloro-2-ethylideneimidazole?
The InChIKey is DDPOYYDKMSUFSR-GORDUTHDSA-N. The full InChI is InChI=1S/C5H5ClN2/c1-2-5-7-3-4(6)8-5/h2-3H,1H3/b5-2+.
What are the key properties of (2E)-4-chloro-2-ethylideneimidazole?
(2E)-4-chloro-2-ethylideneimidazole has a molecular weight of 128.56 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-chloro-2-ethylideneimidazole is sourced from PubChem (CID 146660822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).