3-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]benzonitrile

C15H13N5 — CID 155910347

IUPAC3-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]benzonitrile
SMILESCn1ccnc1Cn1ccnc1-c1cccc(C#N)c1
InChIInChI=1S/C15H13N5/c1-19-7-5-17-14(19)11-20-8-6-18-15(20)13-4-2-3-12(9-13)10-16/h2-9H,11H2,1H3
InChIKeyJMUZKVHHZWJEBI-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.20
Rot. Bonds3

About 3-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]benzonitrile

3-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]benzonitrile (PubChem CID 155910347) has the molecular formula C15H13N5 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]benzonitrile
PubChem CID155910347
Molecular FormulaC15H13N5
Molecular Weight263.30 g/mol
Exact Mass263.12
IUPAC Name3-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]benzonitrile
SMILESCn1ccnc1Cn1ccnc1-c1cccc(C#N)c1
InChIInChI=1S/C15H13N5/c1-19-7-5-17-14(19)11-20-8-6-18-15(20)13-4-2-3-12(9-13)10-16/h2-9H,11H2,1H3
InChIKeyJMUZKVHHZWJEBI-UHFFFAOYSA-N
XLogP2.20
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]benzonitrile?
The IUPAC name of 3-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]benzonitrile (CID 155910347) is 3-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]benzonitrile.
What is the SMILES notation for 3-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]benzonitrile?
The canonical SMILES for 3-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]benzonitrile is Cn1ccnc1Cn1ccnc1-c1cccc(C#N)c1.
What is the InChIKey of 3-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]benzonitrile?
The InChIKey is JMUZKVHHZWJEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5/c1-19-7-5-17-14(19)11-20-8-6-18-15(20)13-4-2-3-12(9-13)10-16/h2-9H,11H2,1H3.
What are the key properties of 3-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]benzonitrile?
3-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]benzonitrile has a molecular weight of 263.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]benzonitrile is sourced from PubChem (CID 155910347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).