2-[(4-imidazol-1-ylphenoxy)methyl]-2,3-dihydro-1H-pyrrol-5-amine

C14H16N4O — CID 141386825

IUPAC2-[(4-imidazol-1-ylphenoxy)methyl]-2,3-dihydro-1H-pyrrol-5-amine
SMILESNC1=CCC(COc2ccc(-n3ccnc3)cc2)N1
InChIInChI=1S/C14H16N4O/c15-14-6-1-11(17-14)9-19-13-4-2-12(3-5-13)18-8-7-16-10-18/h2-8,10-11,17H,1,9,15H2
InChIKeyOBMTZRSMJKJVDB-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.41
Rot. Bonds4

About 2-[(4-imidazol-1-ylphenoxy)methyl]-2,3-dihydro-1H-pyrrol-5-amine

2-[(4-imidazol-1-ylphenoxy)methyl]-2,3-dihydro-1H-pyrrol-5-amine (PubChem CID 141386825) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[(4-imidazol-1-ylphenoxy)methyl]-2,3-dihydro-1H-pyrrol-5-amine.

Molecular Properties

Compound Name2-[(4-imidazol-1-ylphenoxy)methyl]-2,3-dihydro-1H-pyrrol-5-amine
PubChem CID141386825
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-[(4-imidazol-1-ylphenoxy)methyl]-2,3-dihydro-1H-pyrrol-5-amine
SMILESNC1=CCC(COc2ccc(-n3ccnc3)cc2)N1
InChIInChI=1S/C14H16N4O/c15-14-6-1-11(17-14)9-19-13-4-2-12(3-5-13)18-8-7-16-10-18/h2-8,10-11,17H,1,9,15H2
InChIKeyOBMTZRSMJKJVDB-UHFFFAOYSA-N
XLogP1.41
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
CID 132544165
1-(4-prop-2-enoxyphenyl)imidazole
CID 67611559
1-(4-imidazol-1-ylphenoxy)-2-methylpropan-2-amine;dihydrochloride
CID 67689860
4-(4-imidazol-1-ylphenoxy)butan-1-ol
CID 91307784
6-[(4-imidazol-1-ylphenoxy)methyl]-3,4-dihydropyridine
CID 129036188
1-(4-fluorophenoxy)-3-(4-imidazol-1-ylphenoxy)propan-2-ol
CID 109414595
4-imidazol-1-ylaniline;trihydrochloride
CID 68693958
2-[(3-tert-butylphenoxy)methyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141386808
tris(4-imidazol-1-ylphenyl) borate
CID 69353024
1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]imidazole
CID 21193484
1-(4-hex-5-enoxyphenyl)imidazole
CID 86214589
1-(4-ethoxyphenyl)imidazole;nitric acid
CID 24839007

Frequently Asked Questions

What is the IUPAC name of 2-[(4-imidazol-1-ylphenoxy)methyl]-2,3-dihydro-1H-pyrrol-5-amine?
The IUPAC name of 2-[(4-imidazol-1-ylphenoxy)methyl]-2,3-dihydro-1H-pyrrol-5-amine (CID 141386825) is 2-[(4-imidazol-1-ylphenoxy)methyl]-2,3-dihydro-1H-pyrrol-5-amine.
What is the SMILES notation for 2-[(4-imidazol-1-ylphenoxy)methyl]-2,3-dihydro-1H-pyrrol-5-amine?
The canonical SMILES for 2-[(4-imidazol-1-ylphenoxy)methyl]-2,3-dihydro-1H-pyrrol-5-amine is NC1=CCC(COc2ccc(-n3ccnc3)cc2)N1.
What is the InChIKey of 2-[(4-imidazol-1-ylphenoxy)methyl]-2,3-dihydro-1H-pyrrol-5-amine?
The InChIKey is OBMTZRSMJKJVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-14-6-1-11(17-14)9-19-13-4-2-12(3-5-13)18-8-7-16-10-18/h2-8,10-11,17H,1,9,15H2.
What are the key properties of 2-[(4-imidazol-1-ylphenoxy)methyl]-2,3-dihydro-1H-pyrrol-5-amine?
2-[(4-imidazol-1-ylphenoxy)methyl]-2,3-dihydro-1H-pyrrol-5-amine has a molecular weight of 256.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-imidazol-1-ylphenoxy)methyl]-2,3-dihydro-1H-pyrrol-5-amine is sourced from PubChem (CID 141386825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).