4-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline

C15H14ClN3O — CID 43762276

IUPAC4-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
SMILESCn1ccnc1C(Nc1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C15H14ClN3O/c1-19-9-8-17-15(19)14(13-3-2-10-20-13)18-12-6-4-11(16)5-7-12/h2-10,14,18H,1H3
InChIKeyLQAOPWDDQOFGHX-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.87
Rot. Bonds4

About 4-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline

4-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline (PubChem CID 43762276) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 4-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
PubChem CID43762276
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name4-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
SMILESCn1ccnc1C(Nc1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C15H14ClN3O/c1-19-9-8-17-15(19)14(13-3-2-10-20-13)18-12-6-4-11(16)5-7-12/h2-10,14,18H,1H3
InChIKeyLQAOPWDDQOFGHX-UHFFFAOYSA-N
XLogP3.87
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1H-pyrazol-4-amine
CID 43776859
3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline
CID 43758594
2-bromo-3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
CID 103478663
3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]benzonitrile
CID 43762493
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine
CID 43773884
2,4-dibromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
CID 43780865
4-bromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline
CID 43758801
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]-3-methylpentan-2-amine
CID 61463674
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline?
The IUPAC name of 4-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline (CID 43762276) is 4-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 4-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 4-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline is Cn1ccnc1C(Nc1ccc(Cl)cc1)c1ccco1.
What is the InChIKey of 4-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline?
The InChIKey is LQAOPWDDQOFGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-19-9-8-17-15(19)14(13-3-2-10-20-13)18-12-6-4-11(16)5-7-12/h2-10,14,18H,1H3.
What are the key properties of 4-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline?
4-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline has a molecular weight of 287.75 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 43762276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).