7-chloro-5-(4-imidazol-1-ylcyclohexyl)oxyimidazo[1,2-c]pyrimidine

C15H16ClN5O — CID 170573036

IUPAC7-chloro-5-(4-imidazol-1-ylcyclohexyl)oxyimidazo[1,2-c]pyrimidine
SMILESClc1cc2nccn2c(OC2CCC(n3ccnc3)CC2)n1
InChIInChI=1S/C15H16ClN5O/c16-13-9-14-18-6-8-21(14)15(19-13)22-12-3-1-11(2-4-12)20-7-5-17-10-20/h5-12H,1-4H2
InChIKeyKGDJAVQCONJQSD-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.14
Rot. Bonds3

About 7-chloro-5-(4-imidazol-1-ylcyclohexyl)oxyimidazo[1,2-c]pyrimidine

7-chloro-5-(4-imidazol-1-ylcyclohexyl)oxyimidazo[1,2-c]pyrimidine (PubChem CID 170573036) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 7-chloro-5-(4-imidazol-1-ylcyclohexyl)oxyimidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-(4-imidazol-1-ylcyclohexyl)oxyimidazo[1,2-c]pyrimidine
PubChem CID170573036
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name7-chloro-5-(4-imidazol-1-ylcyclohexyl)oxyimidazo[1,2-c]pyrimidine
SMILESClc1cc2nccn2c(OC2CCC(n3ccnc3)CC2)n1
InChIInChI=1S/C15H16ClN5O/c16-13-9-14-18-6-8-21(14)15(19-13)22-12-3-1-11(2-4-12)20-7-5-17-10-20/h5-12H,1-4H2
InChIKeyKGDJAVQCONJQSD-UHFFFAOYSA-N
XLogP3.14
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-((4-(1H-imidazol-1-yl)cyclohexyl)oxy)imidazo[1,2-c]pyrimidin-7-yl)morpholine
CID 170394458
[4-(2-amino-6-chloro-8-oxo-7H-purin-9-yl)cyclohexyl] imidazole-1-carboxylate
CID 57612675
4-[(4-Chloro-6-imidazol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol
CID 169246352
tert-butyl N-[4-(7-chloroimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate
CID 170573045

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(4-imidazol-1-ylcyclohexyl)oxyimidazo[1,2-c]pyrimidine?
The IUPAC name of 7-chloro-5-(4-imidazol-1-ylcyclohexyl)oxyimidazo[1,2-c]pyrimidine (CID 170573036) is 7-chloro-5-(4-imidazol-1-ylcyclohexyl)oxyimidazo[1,2-c]pyrimidine.
What is the SMILES notation for 7-chloro-5-(4-imidazol-1-ylcyclohexyl)oxyimidazo[1,2-c]pyrimidine?
The canonical SMILES for 7-chloro-5-(4-imidazol-1-ylcyclohexyl)oxyimidazo[1,2-c]pyrimidine is Clc1cc2nccn2c(OC2CCC(n3ccnc3)CC2)n1.
What is the InChIKey of 7-chloro-5-(4-imidazol-1-ylcyclohexyl)oxyimidazo[1,2-c]pyrimidine?
The InChIKey is KGDJAVQCONJQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c16-13-9-14-18-6-8-21(14)15(19-13)22-12-3-1-11(2-4-12)20-7-5-17-10-20/h5-12H,1-4H2.
What are the key properties of 7-chloro-5-(4-imidazol-1-ylcyclohexyl)oxyimidazo[1,2-c]pyrimidine?
7-chloro-5-(4-imidazol-1-ylcyclohexyl)oxyimidazo[1,2-c]pyrimidine has a molecular weight of 317.78 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(4-imidazol-1-ylcyclohexyl)oxyimidazo[1,2-c]pyrimidine is sourced from PubChem (CID 170573036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).