1-[(1-ethylimidazol-2-yl)methyl]pyrrole-2-carbonitrile

C11H12N4 — CID 114652741

IUPAC1-[(1-ethylimidazol-2-yl)methyl]pyrrole-2-carbonitrile
SMILESCCn1ccnc1Cn1cccc1C#N
InChIInChI=1S/C11H12N4/c1-2-14-7-5-13-11(14)9-15-6-3-4-10(15)8-12/h3-7H,2,9H2,1H3
InChIKeyNNKKTXHDBAESTA-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.62
Rot. Bonds3

About 1-[(1-ethylimidazol-2-yl)methyl]pyrrole-2-carbonitrile

1-[(1-ethylimidazol-2-yl)methyl]pyrrole-2-carbonitrile (PubChem CID 114652741) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]pyrrole-2-carbonitrile
PubChem CID114652741
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]pyrrole-2-carbonitrile
SMILESCCn1ccnc1Cn1cccc1C#N
InChIInChI=1S/C11H12N4/c1-2-14-7-5-13-11(14)9-15-6-3-4-10(15)8-12/h3-7H,2,9H2,1H3
InChIKeyNNKKTXHDBAESTA-UHFFFAOYSA-N
XLogP1.62
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methylimidazol-2-yl)methyl]pyrrole-2-carbonitrile
CID 114652451
1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyridin-2-one
CID 115616696
1-[2-(2-methylimidazol-1-yl)ethyl]pyrrole-2-carbonitrile
CID 114652667
1-ethyl-2-[(2-methylimidazol-1-yl)methyl]imidazole
CID 62406588
1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]-N-methylethanamine
CID 79102946
N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66402190
1-[(1-ethylimidazol-2-yl)methyl]indole
CID 63811583
1-[(2-amino-3-pyridinyl)methyl]pyrrole-2-carbonitrile
CID 114652377
N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66402830
1-[(1-ethylimidazol-2-yl)methyl]-4-methylindole
CID 116620242
1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrrole-2-carbonitrile
CID 114652327
1-ethyl-2-(iodomethyl)imidazole
CID 64786618

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]pyrrole-2-carbonitrile?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]pyrrole-2-carbonitrile (CID 114652741) is 1-[(1-ethylimidazol-2-yl)methyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]pyrrole-2-carbonitrile is CCn1ccnc1Cn1cccc1C#N.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]pyrrole-2-carbonitrile?
The InChIKey is NNKKTXHDBAESTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-2-14-7-5-13-11(14)9-15-6-3-4-10(15)8-12/h3-7H,2,9H2,1H3.
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]pyrrole-2-carbonitrile?
1-[(1-ethylimidazol-2-yl)methyl]pyrrole-2-carbonitrile has a molecular weight of 200.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 114652741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).