4-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]-N-methylaniline

C14H12BrN3S — CID 116877809

IUPAC4-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]-N-methylaniline
SMILESCNc1ccc(-c2ncc(-c3ccc(Br)s3)[nH]2)cc1
InChIInChI=1S/C14H12BrN3S/c1-16-10-4-2-9(3-5-10)14-17-8-11(18-14)12-6-7-13(15)19-12/h2-8,16H,1H3,(H,17,18)
InChIKeyCXPJWUOCCZKKOO-UHFFFAOYSA-N
MW334.24 g/mol
LogP4.61
Rot. Bonds3

About 4-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]-N-methylaniline

4-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]-N-methylaniline (PubChem CID 116877809) has the molecular formula C14H12BrN3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 4-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]-N-methylaniline.

Molecular Properties

Compound Name4-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]-N-methylaniline
PubChem CID116877809
Molecular FormulaC14H12BrN3S
Molecular Weight334.24 g/mol
Exact Mass332.99
IUPAC Name4-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]-N-methylaniline
SMILESCNc1ccc(-c2ncc(-c3ccc(Br)s3)[nH]2)cc1
InChIInChI=1S/C14H12BrN3S/c1-16-10-4-2-9(3-5-10)14-17-8-11(18-14)12-6-7-13(15)19-12/h2-8,16H,1H3,(H,17,18)
InChIKeyCXPJWUOCCZKKOO-UHFFFAOYSA-N
XLogP4.61
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-chloro-3-fluorophenyl)-1H-imidazol-5-yl]-N-methylaniline
CID 131992559
5-bromo-2-(4-methylphenyl)-1H-imidazole
CID 117259266
2-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]acetic acid
CID 116878592
1-[2-(5-bromothiophen-2-yl)-1H-imidazol-5-yl]ethanone
CID 130502056
N-[[5-[4-(5-bromothiophen-2-yl)phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine
CID 130415020
5-(4-bromophenyl)-2-phenyl-1H-imidazole
CID 12858161
N-methyl-4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
CID 104698549
5-(4-bromophenyl)-2-(4-ethoxyphenyl)-1H-imidazole
CID 174408682
N-methyl-4-(6-methyl-3H-imidazo[4,5-c]pyridin-2-yl)aniline
CID 143611664
4-(5-methyl-1H-imidazol-2-yl)-N-propylaniline
CID 165056409
2-[[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]methyl]piperidine
CID 116877651
ethane;2-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-1,3-thiazole
CID 142178675

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]-N-methylaniline?
The IUPAC name of 4-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]-N-methylaniline (CID 116877809) is 4-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]-N-methylaniline.
What is the SMILES notation for 4-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]-N-methylaniline?
The canonical SMILES for 4-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]-N-methylaniline is CNc1ccc(-c2ncc(-c3ccc(Br)s3)[nH]2)cc1.
What is the InChIKey of 4-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]-N-methylaniline?
The InChIKey is CXPJWUOCCZKKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3S/c1-16-10-4-2-9(3-5-10)14-17-8-11(18-14)12-6-7-13(15)19-12/h2-8,16H,1H3,(H,17,18).
What are the key properties of 4-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]-N-methylaniline?
4-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]-N-methylaniline has a molecular weight of 334.24 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-bromothiophen-2-yl)-1H-imidazol-2-yl]-N-methylaniline is sourced from PubChem (CID 116877809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).