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

C19H20ClN5 — CID 20779094

IUPAC5-(3-chlorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine
SMILESCc1[nH]cnc1C1CCN(c2ncncc2-c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H20ClN5/c1-13-18(23-12-22-13)14-5-7-25(8-6-14)19-17(10-21-11-24-19)15-3-2-4-16(20)9-15/h2-4,9-12,14H,5-8H2,1H3,(H,22,23)
InChIKeyTXEVILRPVNDVRU-UHFFFAOYSA-N
MW353.86 g/mol
LogP4.21
Rot. Bonds3

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

5-(3-chlorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine (PubChem CID 20779094) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine
PubChem CID20779094
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name5-(3-chlorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine
SMILESCc1[nH]cnc1C1CCN(c2ncncc2-c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H20ClN5/c1-13-18(23-12-22-13)14-5-7-25(8-6-14)19-17(10-21-11-24-19)15-3-2-4-16(20)9-15/h2-4,9-12,14H,5-8H2,1H3,(H,22,23)
InChIKeyTXEVILRPVNDVRU-UHFFFAOYSA-N
XLogP4.21
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 5-(3-chlorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine (CID 20779094) is 5-(3-chlorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-(3-chlorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-(3-chlorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine is Cc1[nH]cnc1C1CCN(c2ncncc2-c2cccc(Cl)c2)CC1.
What is the InChIKey of 5-(3-chlorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine?
The InChIKey is TXEVILRPVNDVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c1-13-18(23-12-22-13)14-5-7-25(8-6-14)19-17(10-21-11-24-19)15-3-2-4-16(20)9-15/h2-4,9-12,14H,5-8H2,1H3,(H,22,23).
What are the key properties of 5-(3-chlorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine?
5-(3-chlorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine has a molecular weight of 353.86 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 20779094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).