1-[2-(2-methylimidazol-1-yl)ethyl]pyrrole-2-carbonitrile

C11H12N4 — CID 114652667

IUPAC1-[2-(2-methylimidazol-1-yl)ethyl]pyrrole-2-carbonitrile
SMILESCc1nccn1CCn1cccc1C#N
InChIInChI=1S/C11H12N4/c1-10-13-4-6-14(10)7-8-15-5-2-3-11(15)9-12/h2-6H,7-8H2,1H3
InChIKeyBEJXUBSZXYMUFB-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.56
Rot. Bonds3

About 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrole-2-carbonitrile

1-[2-(2-methylimidazol-1-yl)ethyl]pyrrole-2-carbonitrile (PubChem CID 114652667) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-[2-(2-methylimidazol-1-yl)ethyl]pyrrole-2-carbonitrile
PubChem CID114652667
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name1-[2-(2-methylimidazol-1-yl)ethyl]pyrrole-2-carbonitrile
SMILESCc1nccn1CCn1cccc1C#N
InChIInChI=1S/C11H12N4/c1-10-13-4-6-14(10)7-8-15-5-2-3-11(15)9-12/h2-6H,7-8H2,1H3
InChIKeyBEJXUBSZXYMUFB-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-2-yl]methanamine
CID 66400746
1-(4-chlorobutyl)pyrrole-2-carbonitrile
CID 114650701
1-[(1-methylimidazol-2-yl)methyl]pyrrole-2-carbonitrile
CID 114652451
1-[(1-ethylimidazol-2-yl)methyl]pyrrole-2-carbonitrile
CID 114652741
3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one
CID 62101802
4-[2-(2-methylimidazol-1-yl)ethylamino]benzonitrile
CID 54961145
1-(2-bromoethyl)pyrrole-2-carbonitrile
CID 114650712
1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrole-2-carbonitrile
CID 114650287
3-[3-(2-methylimidazol-1-yl)propoxy]benzonitrile
CID 43289188
4-[2-(2-methylimidazol-1-yl)ethylsulfonyl]benzonitrile
CID 79506485
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
1-[2-(2-methylimidazol-1-yl)ethyl]-2-oxopyridine-3-carbothioamide
CID 107017853

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrole-2-carbonitrile?
The IUPAC name of 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrole-2-carbonitrile (CID 114652667) is 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrole-2-carbonitrile is Cc1nccn1CCn1cccc1C#N.
What is the InChIKey of 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrole-2-carbonitrile?
The InChIKey is BEJXUBSZXYMUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-10-13-4-6-14(10)7-8-15-5-2-3-11(15)9-12/h2-6H,7-8H2,1H3.
What are the key properties of 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrole-2-carbonitrile?
1-[2-(2-methylimidazol-1-yl)ethyl]pyrrole-2-carbonitrile has a molecular weight of 200.25 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 114652667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).