4-[[2-[2-(1-ethylimidazol-2-yl)imidazol-1-yl]phenyl]methyl]morpholine

C19H23N5O — CID 56867006

IUPAC4-[[2-[2-(1-ethylimidazol-2-yl)imidazol-1-yl]phenyl]methyl]morpholine
SMILESCCn1ccnc1-c1nccn1-c1ccccc1CN1CCOCC1
InChIInChI=1S/C19H23N5O/c1-2-23-9-7-20-18(23)19-21-8-10-24(19)17-6-4-3-5-16(17)15-22-11-13-25-14-12-22/h3-10H,2,11-15H2,1H3
InChIKeyOSGBOFVWBNSRDS-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.59
Rot. Bonds5

About 4-[[2-[2-(1-ethylimidazol-2-yl)imidazol-1-yl]phenyl]methyl]morpholine

4-[[2-[2-(1-ethylimidazol-2-yl)imidazol-1-yl]phenyl]methyl]morpholine (PubChem CID 56867006) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-[[2-[2-(1-ethylimidazol-2-yl)imidazol-1-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-[2-(1-ethylimidazol-2-yl)imidazol-1-yl]phenyl]methyl]morpholine
PubChem CID56867006
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name4-[[2-[2-(1-ethylimidazol-2-yl)imidazol-1-yl]phenyl]methyl]morpholine
SMILESCCn1ccnc1-c1nccn1-c1ccccc1CN1CCOCC1
InChIInChI=1S/C19H23N5O/c1-2-23-9-7-20-18(23)19-21-8-10-24(19)17-6-4-3-5-16(17)15-22-11-13-25-14-12-22/h3-10H,2,11-15H2,1H3
InChIKeyOSGBOFVWBNSRDS-UHFFFAOYSA-N
XLogP2.59
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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5-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N,N-diethylpyridin-2-amine
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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(1-ethylimidazol-2-yl)imidazol-1-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[2-[2-(1-ethylimidazol-2-yl)imidazol-1-yl]phenyl]methyl]morpholine (CID 56867006) is 4-[[2-[2-(1-ethylimidazol-2-yl)imidazol-1-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[2-[2-(1-ethylimidazol-2-yl)imidazol-1-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[2-[2-(1-ethylimidazol-2-yl)imidazol-1-yl]phenyl]methyl]morpholine is CCn1ccnc1-c1nccn1-c1ccccc1CN1CCOCC1.
What is the InChIKey of 4-[[2-[2-(1-ethylimidazol-2-yl)imidazol-1-yl]phenyl]methyl]morpholine?
The InChIKey is OSGBOFVWBNSRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-2-23-9-7-20-18(23)19-21-8-10-24(19)17-6-4-3-5-16(17)15-22-11-13-25-14-12-22/h3-10H,2,11-15H2,1H3.
What are the key properties of 4-[[2-[2-(1-ethylimidazol-2-yl)imidazol-1-yl]phenyl]methyl]morpholine?
4-[[2-[2-(1-ethylimidazol-2-yl)imidazol-1-yl]phenyl]methyl]morpholine has a molecular weight of 337.43 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(1-ethylimidazol-2-yl)imidazol-1-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 56867006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).