4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrimidine

C23H26FN5 — CID 135370833

IUPAC4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrimidine
SMILESFc1ccc(-c2ncn(C3CCCCC3)c2-c2ccnc(N3CCCC3)n2)cc1
InChIInChI=1S/C23H26FN5/c24-18-10-8-17(9-11-18)21-22(29(16-26-21)19-6-2-1-3-7-19)20-12-13-25-23(27-20)28-14-4-5-15-28/h8-13,16,19H,1-7,14-15H2
InChIKeyDDOQLHFUZSLTOD-UHFFFAOYSA-N
MW391.49 g/mol
LogP5.25
Rot. Bonds4

About 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrimidine

4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrimidine (PubChem CID 135370833) has the molecular formula C23H26FN5 and a molecular weight of 391.49 g/mol. Its IUPAC name is 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrimidine
PubChem CID135370833
Molecular FormulaC23H26FN5
Molecular Weight391.49 g/mol
Exact Mass391.22
IUPAC Name4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrimidine
SMILESFc1ccc(-c2ncn(C3CCCCC3)c2-c2ccnc(N3CCCC3)n2)cc1
InChIInChI=1S/C23H26FN5/c24-18-10-8-17(9-11-18)21-22(29(16-26-21)19-6-2-1-3-7-19)20-12-13-25-23(27-20)28-14-4-5-15-28/h8-13,16,19H,1-7,14-15H2
InChIKeyDDOQLHFUZSLTOD-UHFFFAOYSA-N
XLogP5.25
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.49
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

SB-220025
CID 5164
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
SB 239063
CID 5166
PF-670462
CID 51049607
4-(4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridinyl)-1H-imidazol-2-yl)-3-butyn-1-ol
CID 3008319
6-(4-Fluorophenyl)-2,3-dihydro-5-(4-pyridinyl)imidazo(2,1-b)thiazole
CID 5228
4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
1-benzyl-5-phenyl-1H-imidazole
CID 10444038
VK-19911
CID 9797240
SB-242235
CID 9863367

Frequently Asked Questions

What is the IUPAC name of 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrimidine (CID 135370833) is 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrimidine is Fc1ccc(-c2ncn(C3CCCCC3)c2-c2ccnc(N3CCCC3)n2)cc1.
What is the InChIKey of 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is DDOQLHFUZSLTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5/c24-18-10-8-17(9-11-18)21-22(29(16-26-21)19-6-2-1-3-7-19)20-12-13-25-23(27-20)28-14-4-5-15-28/h8-13,16,19H,1-7,14-15H2.
What are the key properties of 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrimidine?
4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 391.49 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 135370833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).