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

C20H23N5O — CID 20779096

IUPAC5-(3-methoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine
SMILESCOc1cccc(-c2cncnc2N2CCC(c3nc[nH]c3C)CC2)c1
InChIInChI=1S/C20H23N5O/c1-14-19(23-13-22-14)15-6-8-25(9-7-15)20-18(11-21-12-24-20)16-4-3-5-17(10-16)26-2/h3-5,10-13,15H,6-9H2,1-2H3,(H,22,23)
InChIKeyPWLOHJCSBUHAHZ-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.57
Rot. Bonds4

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

5-(3-methoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine (PubChem CID 20779096) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine
PubChem CID20779096
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name5-(3-methoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine
SMILESCOc1cccc(-c2cncnc2N2CCC(c3nc[nH]c3C)CC2)c1
InChIInChI=1S/C20H23N5O/c1-14-19(23-13-22-14)15-6-8-25(9-7-15)20-18(11-21-12-24-20)16-4-3-5-17(10-16)26-2/h3-5,10-13,15H,6-9H2,1-2H3,(H,22,23)
InChIKeyPWLOHJCSBUHAHZ-UHFFFAOYSA-N
XLogP3.57
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 5-(3-methoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine (CID 20779096) is 5-(3-methoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-(3-methoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-(3-methoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine is COc1cccc(-c2cncnc2N2CCC(c3nc[nH]c3C)CC2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine?
The InChIKey is PWLOHJCSBUHAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-19(23-13-22-14)15-6-8-25(9-7-15)20-18(11-21-12-24-20)16-4-3-5-17(10-16)26-2/h3-5,10-13,15H,6-9H2,1-2H3,(H,22,23).
What are the key properties of 5-(3-methoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine?
5-(3-methoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine has a molecular weight of 349.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 20779096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).