3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline

C16H16ClN3O — CID 43758594

IUPAC3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline
SMILESCc1c(Cl)cccc1NC(c1ccco1)c1nccn1C
InChIInChI=1S/C16H16ClN3O/c1-11-12(17)5-3-6-13(11)19-15(14-7-4-10-21-14)16-18-8-9-20(16)2/h3-10,15,19H,1-2H3
InChIKeyCAFLPHRYLSOECA-UHFFFAOYSA-N
MW301.78 g/mol
LogP4.18
Rot. Bonds4

About 3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline

3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline (PubChem CID 43758594) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline
PubChem CID43758594
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline
SMILESCc1c(Cl)cccc1NC(c1ccco1)c1nccn1C
InChIInChI=1S/C16H16ClN3O/c1-11-12(17)5-3-6-13(11)19-15(14-7-4-10-21-14)16-18-8-9-20(16)2/h3-10,15,19H,1-2H3
InChIKeyCAFLPHRYLSOECA-UHFFFAOYSA-N
XLogP4.18
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
CID 103478663
4-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
CID 43762276
4-bromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline
CID 43758801
2,4-dibromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
CID 43780865
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine
CID 43773884
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1H-pyrazol-4-amine
CID 43776859
3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]benzonitrile
CID 43762493
1-(3-chloro-2-methylphenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiourea
CID 8563284
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]cycloheptanamine
CID 43767058
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]methanamine
CID 60913950
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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline?
The IUPAC name of 3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline (CID 43758594) is 3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline.
What is the SMILES notation for 3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline?
The canonical SMILES for 3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline is Cc1c(Cl)cccc1NC(c1ccco1)c1nccn1C.
What is the InChIKey of 3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline?
The InChIKey is CAFLPHRYLSOECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-11-12(17)5-3-6-13(11)19-15(14-7-4-10-21-14)16-18-8-9-20(16)2/h3-10,15,19H,1-2H3.
What are the key properties of 3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline?
3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline has a molecular weight of 301.78 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline is sourced from PubChem (CID 43758594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).