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

C16H14N4O — CID 43762493

IUPAC3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]benzonitrile
SMILESCn1ccnc1C(Nc1cccc(C#N)c1)c1ccco1
InChIInChI=1S/C16H14N4O/c1-20-8-7-18-16(20)15(14-6-3-9-21-14)19-13-5-2-4-12(10-13)11-17/h2-10,15,19H,1H3
InChIKeyQYCXVBNKJCNTNR-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.09
Rot. Bonds4

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

3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]benzonitrile (PubChem CID 43762493) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]benzonitrile.

Molecular Properties

Compound Name3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]benzonitrile
PubChem CID43762493
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]benzonitrile
SMILESCn1ccnc1C(Nc1cccc(C#N)c1)c1ccco1
InChIInChI=1S/C16H14N4O/c1-20-8-7-18-16(20)15(14-6-3-9-21-14)19-13-5-2-4-12(10-13)11-17/h2-10,15,19H,1H3
InChIKeyQYCXVBNKJCNTNR-UHFFFAOYSA-N
XLogP3.09
TPSA66.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
CID 43762276
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1H-pyrazol-4-amine
CID 43776859
2,4-dibromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
CID 43780865
3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline
CID 43758594
4-bromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline
CID 43758801
2-bromo-3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
CID 103478663
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine
CID 43773884
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]cycloheptanamine
CID 43767058
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-N-methylpropanamide
CID 61464680
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 104759298
3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
CID 43770586
3-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
CID 43762036

Frequently Asked Questions

What is the IUPAC name of 3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]benzonitrile?
The IUPAC name of 3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]benzonitrile (CID 43762493) is 3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]benzonitrile.
What is the SMILES notation for 3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]benzonitrile?
The canonical SMILES for 3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]benzonitrile is Cn1ccnc1C(Nc1cccc(C#N)c1)c1ccco1.
What is the InChIKey of 3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]benzonitrile?
The InChIKey is QYCXVBNKJCNTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-20-8-7-18-16(20)15(14-6-3-9-21-14)19-13-5-2-4-12(10-13)11-17/h2-10,15,19H,1H3.
What are the key properties of 3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]benzonitrile?
3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]benzonitrile has a molecular weight of 278.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]benzonitrile is sourced from PubChem (CID 43762493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).