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

C10H10N4 — CID 114652451

IUPAC1-[(1-methylimidazol-2-yl)methyl]pyrrole-2-carbonitrile
SMILESCn1ccnc1Cn1cccc1C#N
InChIInChI=1S/C10H10N4/c1-13-6-4-12-10(13)8-14-5-2-3-9(14)7-11/h2-6H,8H2,1H3
InChIKeySJRJNOZWYQPUGT-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.14
Rot. Bonds2

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

1-[(1-methylimidazol-2-yl)methyl]pyrrole-2-carbonitrile (PubChem CID 114652451) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 1-[(1-methylimidazol-2-yl)methyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-[(1-methylimidazol-2-yl)methyl]pyrrole-2-carbonitrile
PubChem CID114652451
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name1-[(1-methylimidazol-2-yl)methyl]pyrrole-2-carbonitrile
SMILESCn1ccnc1Cn1cccc1C#N
InChIInChI=1S/C10H10N4/c1-13-6-4-12-10(13)8-14-5-2-3-9(14)7-11/h2-6H,8H2,1H3
InChIKeySJRJNOZWYQPUGT-UHFFFAOYSA-N
XLogP1.14
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethylimidazol-2-yl)methyl]pyrrole-2-carbonitrile
CID 114652741
1-[2-(2-methylimidazol-1-yl)ethyl]pyrrole-2-carbonitrile
CID 114652667
3-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]benzonitrile
CID 155910347
N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402532
1-[(2-amino-3-pyridinyl)methyl]pyrrole-2-carbonitrile
CID 114652377
1-(3-chloropropyl)pyrrole-2-carbonitrile
CID 114650702
4-amino-1-[(1-methylimidazol-2-yl)methyl]-5-phenylsulfanylpyrrole-2-carbonitrile
CID 100775131
1-(4-chlorobutyl)pyrrole-2-carbonitrile
CID 114650701
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]benzonitrile
CID 23852101
4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 51260467
1-(2-pyridin-4-ylethyl)pyrrole-2-carbonitrile
CID 114652615
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
CID 60696333

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]pyrrole-2-carbonitrile?
The IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]pyrrole-2-carbonitrile (CID 114652451) is 1-[(1-methylimidazol-2-yl)methyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1-[(1-methylimidazol-2-yl)methyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1-[(1-methylimidazol-2-yl)methyl]pyrrole-2-carbonitrile is Cn1ccnc1Cn1cccc1C#N.
What is the InChIKey of 1-[(1-methylimidazol-2-yl)methyl]pyrrole-2-carbonitrile?
The InChIKey is SJRJNOZWYQPUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c1-13-6-4-12-10(13)8-14-5-2-3-9(14)7-11/h2-6H,8H2,1H3.
What are the key properties of 1-[(1-methylimidazol-2-yl)methyl]pyrrole-2-carbonitrile?
1-[(1-methylimidazol-2-yl)methyl]pyrrole-2-carbonitrile has a molecular weight of 186.22 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazol-2-yl)methyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 114652451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).