N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide

C17H17ClN4O3 — CID 74235431

IUPACN-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCc1cc(OCC(O)CNC(=O)c2cn3cccnc3n2)ccc1Cl
InChIInChI=1S/C17H17ClN4O3/c1-11-7-13(3-4-14(11)18)25-10-12(23)8-20-16(24)15-9-22-6-2-5-19-17(22)21-15/h2-7,9,12,23H,8,10H2,1H3,(H,20,24)
InChIKeyHITNLXNPOGLSIR-UHFFFAOYSA-N
MW360.80 g/mol
LogP1.86
Rot. Bonds6

About N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide

N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 74235431) has the molecular formula C17H17ClN4O3 and a molecular weight of 360.80 g/mol. Its IUPAC name is N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID74235431
Molecular FormulaC17H17ClN4O3
Molecular Weight360.80 g/mol
Exact Mass360.10
IUPAC NameN-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCc1cc(OCC(O)CNC(=O)c2cn3cccnc3n2)ccc1Cl
InChIInChI=1S/C17H17ClN4O3/c1-11-7-13(3-4-14(11)18)25-10-12(23)8-20-16(24)15-9-22-6-2-5-19-17(22)21-15/h2-7,9,12,23H,8,10H2,1H3,(H,20,24)
InChIKeyHITNLXNPOGLSIR-UHFFFAOYSA-N
XLogP1.86
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide (CID 74235431) is N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide is Cc1cc(OCC(O)CNC(=O)c2cn3cccnc3n2)ccc1Cl.
What is the InChIKey of N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is HITNLXNPOGLSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3/c1-11-7-13(3-4-14(11)18)25-10-12(23)8-20-16(24)15-9-22-6-2-5-19-17(22)21-15/h2-7,9,12,23H,8,10H2,1H3,(H,20,24).
What are the key properties of N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 360.80 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 74235431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).