1-[(5-bromothiophen-2-yl)methyl]-4-methyl-N-phenylimidazol-2-amine

C15H14BrN3S — CID 106575524

IUPAC1-[(5-bromothiophen-2-yl)methyl]-4-methyl-N-phenylimidazol-2-amine
SMILESCc1cn(Cc2ccc(Br)s2)c(Nc2ccccc2)n1
InChIInChI=1S/C15H14BrN3S/c1-11-9-19(10-13-7-8-14(16)20-13)15(17-11)18-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyDPFRITXLDMXRHK-UHFFFAOYSA-N
MW348.27 g/mol
LogP4.81
Rot. Bonds4

About 1-[(5-bromothiophen-2-yl)methyl]-4-methyl-N-phenylimidazol-2-amine

1-[(5-bromothiophen-2-yl)methyl]-4-methyl-N-phenylimidazol-2-amine (PubChem CID 106575524) has the molecular formula C15H14BrN3S and a molecular weight of 348.27 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-4-methyl-N-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-4-methyl-N-phenylimidazol-2-amine
PubChem CID106575524
Molecular FormulaC15H14BrN3S
Molecular Weight348.27 g/mol
Exact Mass347.01
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-4-methyl-N-phenylimidazol-2-amine
SMILESCc1cn(Cc2ccc(Br)s2)c(Nc2ccccc2)n1
InChIInChI=1S/C15H14BrN3S/c1-11-9-19(10-13-7-8-14(16)20-13)15(17-11)18-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyDPFRITXLDMXRHK-UHFFFAOYSA-N
XLogP4.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-bromothiophen-2-yl)methyl]-N,4-dimethylimidazol-2-amine
CID 106575525
4-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-phenylimidazol-2-amine
CID 106566250
4-methyl-N-phenyl-1-(2-propan-2-yloxyethyl)imidazol-2-amine
CID 106581590
4-methyl-1-(4-methylpentyl)-N-phenylimidazol-2-amine
CID 106572165
4-methyl-1-(2-methylsulfonylethyl)-N-phenylimidazol-2-amine
CID 106563436
4-methyl-1-(oxolan-2-ylmethyl)-N-phenylimidazol-2-amine
CID 106560077
1-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-N-phenylimidazol-2-amine
CID 106570835
1-(3-cyclopropylpropyl)-4-methyl-N-phenylimidazol-2-amine
CID 106582506
N-[2-(2-anilino-4-methylimidazol-1-yl)ethyl]acetamide
CID 106562341
1-(1,4-dithian-2-ylmethyl)-4-methyl-N-phenylimidazol-2-amine
CID 106580091
4-methyl-N-phenyl-1-(3-propoxypropyl)imidazol-2-amine
CID 106578539
4-methyl-1-(oxan-3-ylmethyl)-N-phenylimidazol-2-amine
CID 106566017

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-4-methyl-N-phenylimidazol-2-amine?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-4-methyl-N-phenylimidazol-2-amine (CID 106575524) is 1-[(5-bromothiophen-2-yl)methyl]-4-methyl-N-phenylimidazol-2-amine.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-4-methyl-N-phenylimidazol-2-amine?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-4-methyl-N-phenylimidazol-2-amine is Cc1cn(Cc2ccc(Br)s2)c(Nc2ccccc2)n1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-4-methyl-N-phenylimidazol-2-amine?
The InChIKey is DPFRITXLDMXRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3S/c1-11-9-19(10-13-7-8-14(16)20-13)15(17-11)18-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-4-methyl-N-phenylimidazol-2-amine?
1-[(5-bromothiophen-2-yl)methyl]-4-methyl-N-phenylimidazol-2-amine has a molecular weight of 348.27 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]-4-methyl-N-phenylimidazol-2-amine is sourced from PubChem (CID 106575524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).