5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine

C19H19ClFN5 — CID 20779089

IUPAC5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine
SMILESCc1[nH]cnc1C1CCN(c2ncncc2-c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C19H19ClFN5/c1-12-18(24-11-23-12)13-4-6-26(7-5-13)19-15(9-22-10-25-19)14-2-3-17(21)16(20)8-14/h2-3,8-11,13H,4-7H2,1H3,(H,23,24)
InChIKeyRWZXUCCSXXLDQI-UHFFFAOYSA-N
MW371.85 g/mol
LogP4.35
Rot. Bonds3

About 5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine

5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine (PubChem CID 20779089) has the molecular formula C19H19ClFN5 and a molecular weight of 371.85 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine
PubChem CID20779089
Molecular FormulaC19H19ClFN5
Molecular Weight371.85 g/mol
Exact Mass371.13
IUPAC Name5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine
SMILESCc1[nH]cnc1C1CCN(c2ncncc2-c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C19H19ClFN5/c1-12-18(24-11-23-12)13-4-6-26(7-5-13)19-15(9-22-10-25-19)14-2-3-17(21)16(20)8-14/h2-3,8-11,13H,4-7H2,1H3,(H,23,24)
InChIKeyRWZXUCCSXXLDQI-UHFFFAOYSA-N
XLogP4.35
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine (CID 20779089) is 5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine is Cc1[nH]cnc1C1CCN(c2ncncc2-c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine?
The InChIKey is RWZXUCCSXXLDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5/c1-12-18(24-11-23-12)13-4-6-26(7-5-13)19-15(9-22-10-25-19)14-2-3-17(21)16(20)8-14/h2-3,8-11,13H,4-7H2,1H3,(H,23,24).
What are the key properties of 5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine?
5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine has a molecular weight of 371.85 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 20779089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).