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

C15H13BrClN3O — CID 103478663

IUPAC2-bromo-3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
SMILESCn1ccnc1C(Nc1cccc(Cl)c1Br)c1ccco1
InChIInChI=1S/C15H13BrClN3O/c1-20-8-7-18-15(20)14(12-6-3-9-21-12)19-11-5-2-4-10(17)13(11)16/h2-9,14,19H,1H3
InChIKeyCVXNHYGVXQEIBO-UHFFFAOYSA-N
MW366.65 g/mol
LogP4.63
Rot. Bonds4

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

2-bromo-3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline (PubChem CID 103478663) has the molecular formula C15H13BrClN3O and a molecular weight of 366.65 g/mol. Its IUPAC name is 2-bromo-3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
PubChem CID103478663
Molecular FormulaC15H13BrClN3O
Molecular Weight366.65 g/mol
Exact Mass364.99
IUPAC Name2-bromo-3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
SMILESCn1ccnc1C(Nc1cccc(Cl)c1Br)c1ccco1
InChIInChI=1S/C15H13BrClN3O/c1-20-8-7-18-15(20)14(12-6-3-9-21-12)19-11-5-2-4-10(17)13(11)16/h2-9,14,19H,1H3
InChIKeyCVXNHYGVXQEIBO-UHFFFAOYSA-N
XLogP4.63
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.65
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline
CID 43758594
2,4-dibromo-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
CID 43780865
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
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
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]cycloheptanamine
CID 43767058
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
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 43754710

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline?
The IUPAC name of 2-bromo-3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline (CID 103478663) is 2-bromo-3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 2-bromo-3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 2-bromo-3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline is Cn1ccnc1C(Nc1cccc(Cl)c1Br)c1ccco1.
What is the InChIKey of 2-bromo-3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline?
The InChIKey is CVXNHYGVXQEIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN3O/c1-20-8-7-18-15(20)14(12-6-3-9-21-12)19-11-5-2-4-10(17)13(11)16/h2-9,14,19H,1H3.
What are the key properties of 2-bromo-3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline?
2-bromo-3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline has a molecular weight of 366.65 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 103478663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).