1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol

C14H21N3O — CID 79096854

IUPAC1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
SMILESCCn1cncc1Cn1ccc(C(O)C(C)C)c1
InChIInChI=1S/C14H21N3O/c1-4-17-10-15-7-13(17)9-16-6-5-12(8-16)14(18)11(2)3/h5-8,10-11,14,18H,4,9H2,1-3H3
InChIKeySKMYYCRSCPSEJR-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.44
Rot. Bonds5

About 1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol

1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol (PubChem CID 79096854) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
PubChem CID79096854
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
SMILESCCn1cncc1Cn1ccc(C(O)C(C)C)c1
InChIInChI=1S/C14H21N3O/c1-4-17-10-15-7-13(17)9-16-6-5-12(8-16)14(18)11(2)3/h5-8,10-11,14,18H,4,9H2,1-3H3
InChIKeySKMYYCRSCPSEJR-UHFFFAOYSA-N
XLogP2.44
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol?
The IUPAC name of 1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol (CID 79096854) is 1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol is CCn1cncc1Cn1ccc(C(O)C(C)C)c1.
What is the InChIKey of 1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol?
The InChIKey is SKMYYCRSCPSEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-17-10-15-7-13(17)9-16-6-5-12(8-16)14(18)11(2)3/h5-8,10-11,14,18H,4,9H2,1-3H3.
What are the key properties of 1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol?
1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 79096854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).