2-[4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]phenoxy]pyrimidine

C19H18N6O — CID 56870178

IUPAC2-[4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]phenoxy]pyrimidine
SMILESCCn1cc(Cn2ccnc2-c2ccc(Oc3ncccn3)cc2)cn1
InChIInChI=1S/C19H18N6O/c1-2-25-14-15(12-23-25)13-24-11-10-20-18(24)16-4-6-17(7-5-16)26-19-21-8-3-9-22-19/h3-12,14H,2,13H2,1H3
InChIKeyHSPSESGDYDMPOY-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.40
Rot. Bonds6

About 2-[4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]phenoxy]pyrimidine

2-[4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]phenoxy]pyrimidine (PubChem CID 56870178) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]phenoxy]pyrimidine.

Molecular Properties

Compound Name2-[4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]phenoxy]pyrimidine
PubChem CID56870178
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name2-[4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]phenoxy]pyrimidine
SMILESCCn1cc(Cn2ccnc2-c2ccc(Oc3ncccn3)cc2)cn1
InChIInChI=1S/C19H18N6O/c1-2-25-14-15(12-23-25)13-24-11-10-20-18(24)16-4-6-17(7-5-16)26-19-21-8-3-9-22-19/h3-12,14H,2,13H2,1H3
InChIKeyHSPSESGDYDMPOY-UHFFFAOYSA-N
XLogP3.40
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-4-[[2-(4-iodophenyl)imidazol-1-yl]methyl]pyrazole
CID 79787310
1-methyl-4-[(2-phenylimidazol-1-yl)methyl]pyrazole
CID 155917955
N-[[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 62222161
2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine
CID 59321903
4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]pyridin-2-amine
CID 166620627
1-ethyl-2-(4-propan-2-yloxyphenyl)imidazole
CID 110540542
N-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66402997
1-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrrole-2-carboxylic acid
CID 102604735
4-[(2-phenylimidazol-1-yl)methyl]pyridine
CID 67150298
4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole
CID 64764542
1-ethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]pyrazole
CID 116804692
(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine
CID 124977152

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]phenoxy]pyrimidine?
The IUPAC name of 2-[4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]phenoxy]pyrimidine (CID 56870178) is 2-[4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]phenoxy]pyrimidine.
What is the SMILES notation for 2-[4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]phenoxy]pyrimidine?
The canonical SMILES for 2-[4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]phenoxy]pyrimidine is CCn1cc(Cn2ccnc2-c2ccc(Oc3ncccn3)cc2)cn1.
What is the InChIKey of 2-[4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]phenoxy]pyrimidine?
The InChIKey is HSPSESGDYDMPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-2-25-14-15(12-23-25)13-24-11-10-20-18(24)16-4-6-17(7-5-16)26-19-21-8-3-9-22-19/h3-12,14H,2,13H2,1H3.
What are the key properties of 2-[4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]phenoxy]pyrimidine?
2-[4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]phenoxy]pyrimidine has a molecular weight of 346.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]phenoxy]pyrimidine is sourced from PubChem (CID 56870178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).