2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzenecarboximidamide

C12H10BrClN2OS — CID 113277395

IUPAC2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1OCc1cc(Br)cs1
InChIInChI=1S/C12H10BrClN2OS/c13-7-4-8(18-6-7)5-17-10-3-1-2-9(14)11(10)12(15)16/h1-4,6H,5H2,(H3,15,16)
InChIKeyUSKSCMLZXIQVLJ-UHFFFAOYSA-N
MW345.65 g/mol
LogP4.03
Rot. Bonds4

About 2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzenecarboximidamide

2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzenecarboximidamide (PubChem CID 113277395) has the molecular formula C12H10BrClN2OS and a molecular weight of 345.65 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzenecarboximidamide.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzenecarboximidamide
PubChem CID113277395
Molecular FormulaC12H10BrClN2OS
Molecular Weight345.65 g/mol
Exact Mass343.94
IUPAC Name2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1OCc1cc(Br)cs1
InChIInChI=1S/C12H10BrClN2OS/c13-7-4-8(18-6-7)5-17-10-3-1-2-9(14)11(10)12(15)16/h1-4,6H,5H2,(H3,15,16)
InChIKeyUSKSCMLZXIQVLJ-UHFFFAOYSA-N
XLogP4.03
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.65
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzenecarbothioamide
CID 114322949
2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide
CID 114323483
2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 114849646
2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 114323465
2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzonitrile
CID 79032659
2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide
CID 114323524
2-chloro-6-(cyclobutylmethoxy)benzenecarboximidamide
CID 114323500
2-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide
CID 112587805
2-chloro-6-(2-ethylsulfonylethoxy)benzenecarboximidamide
CID 113277394
N-[[2-[(4-bromothiophen-2-yl)methoxy]-6-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 114319974
2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide
CID 63524494
2-chloro-6-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]benzenecarboximidamide
CID 114323489

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzenecarboximidamide?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzenecarboximidamide (CID 113277395) is 2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzenecarboximidamide.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzenecarboximidamide?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1OCc1cc(Br)cs1.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzenecarboximidamide?
The InChIKey is USKSCMLZXIQVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2OS/c13-7-4-8(18-6-7)5-17-10-3-1-2-9(14)11(10)12(15)16/h1-4,6H,5H2,(H3,15,16).
What are the key properties of 2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzenecarboximidamide?
2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzenecarboximidamide has a molecular weight of 345.65 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzenecarboximidamide is sourced from PubChem (CID 113277395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).