4-chloro-2-(1H-imidazol-2-yl)pyrimidine

C7H5ClN4 — CID 22488102

IUPAC4-chloro-2-(1H-imidazol-2-yl)pyrimidine
SMILESClc1ccnc(-c2ncc[nH]2)n1
InChIInChI=1S/C7H5ClN4/c8-5-1-2-9-7(12-5)6-10-3-4-11-6/h1-4H,(H,10,11)
InChIKeyNGXFLPPNBQCBBK-UHFFFAOYSA-N
MW180.60 g/mol
LogP1.52
Rot. Bonds1

About 4-chloro-2-(1H-imidazol-2-yl)pyrimidine

4-chloro-2-(1H-imidazol-2-yl)pyrimidine (PubChem CID 22488102) has the molecular formula C7H5ClN4 and a molecular weight of 180.60 g/mol. Its IUPAC name is 4-chloro-2-(1H-imidazol-2-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1H-imidazol-2-yl)pyrimidine
PubChem CID22488102
Molecular FormulaC7H5ClN4
Molecular Weight180.60 g/mol
Exact Mass180.02
IUPAC Name4-chloro-2-(1H-imidazol-2-yl)pyrimidine
SMILESClc1ccnc(-c2ncc[nH]2)n1
InChIInChI=1S/C7H5ClN4/c8-5-1-2-9-7(12-5)6-10-3-4-11-6/h1-4H,(H,10,11)
InChIKeyNGXFLPPNBQCBBK-UHFFFAOYSA-N
XLogP1.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.60
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1H-imidazol-2-yl)pyrimidine?
The IUPAC name of 4-chloro-2-(1H-imidazol-2-yl)pyrimidine (CID 22488102) is 4-chloro-2-(1H-imidazol-2-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(1H-imidazol-2-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-(1H-imidazol-2-yl)pyrimidine is Clc1ccnc(-c2ncc[nH]2)n1.
What is the InChIKey of 4-chloro-2-(1H-imidazol-2-yl)pyrimidine?
The InChIKey is NGXFLPPNBQCBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4/c8-5-1-2-9-7(12-5)6-10-3-4-11-6/h1-4H,(H,10,11).
What are the key properties of 4-chloro-2-(1H-imidazol-2-yl)pyrimidine?
4-chloro-2-(1H-imidazol-2-yl)pyrimidine has a molecular weight of 180.60 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1H-imidazol-2-yl)pyrimidine is sourced from PubChem (CID 22488102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).