2-[4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexyl]oxy-N,N-dimethylethanamine;hydrochloride

C24H31ClFN5O2 — CID 21190782

IUPAC2-[4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexyl]oxy-N,N-dimethylethanamine;hydrochloride
SMILESCOc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCC(OCCN(C)C)CC2)n1.Cl
InChIInChI=1S/C24H30FN5O2.ClH/c1-29(2)14-15-32-20-10-8-19(9-11-20)30-16-27-22(17-4-6-18(25)7-5-17)23(30)21-12-13-26-24(28-21)31-3;/h4-7,12-13,16,19-20H,8-11,14-15H2,1-3H3;1H
InChIKeyACLHDNWEQOWBDA-UHFFFAOYSA-N
MW476.00 g/mol
LogP4.64
Rot. Bonds8

About 2-[4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexyl]oxy-N,N-dimethylethanamine;hydrochloride

2-[4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexyl]oxy-N,N-dimethylethanamine;hydrochloride (PubChem CID 21190782) has the molecular formula C24H31ClFN5O2 and a molecular weight of 476.00 g/mol. Its IUPAC name is 2-[4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexyl]oxy-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexyl]oxy-N,N-dimethylethanamine;hydrochloride
PubChem CID21190782
Molecular FormulaC24H31ClFN5O2
Molecular Weight476.00 g/mol
Exact Mass475.22
IUPAC Name2-[4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexyl]oxy-N,N-dimethylethanamine;hydrochloride
SMILESCOc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCC(OCCN(C)C)CC2)n1.Cl
InChIInChI=1S/C24H30FN5O2.ClH/c1-29(2)14-15-32-20-10-8-19(9-11-20)30-16-27-22(17-4-6-18(25)7-5-17)23(30)21-12-13-26-24(28-21)31-3;/h4-7,12-13,16,19-20H,8-11,14-15H2,1-3H3;1H
InChIKeyACLHDNWEQOWBDA-UHFFFAOYSA-N
XLogP4.64
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexyl]oxy-N,N-dimethylethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexyl]oxy-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-[4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexyl]oxy-N,N-dimethylethanamine;hydrochloride (CID 21190782) is 2-[4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexyl]oxy-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-[4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexyl]oxy-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-[4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexyl]oxy-N,N-dimethylethanamine;hydrochloride is COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCC(OCCN(C)C)CC2)n1.Cl.
What is the InChIKey of 2-[4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexyl]oxy-N,N-dimethylethanamine;hydrochloride?
The InChIKey is ACLHDNWEQOWBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O2.ClH/c1-29(2)14-15-32-20-10-8-19(9-11-20)30-16-27-22(17-4-6-18(25)7-5-17)23(30)21-12-13-26-24(28-21)31-3;/h4-7,12-13,16,19-20H,8-11,14-15H2,1-3H3;1H.
What are the key properties of 2-[4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexyl]oxy-N,N-dimethylethanamine;hydrochloride?
2-[4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexyl]oxy-N,N-dimethylethanamine;hydrochloride has a molecular weight of 476.00 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexyl]oxy-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 21190782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).