2-bromo-5-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline

C15H13BrClN3S — CID 81270186

IUPAC2-bromo-5-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
SMILESCn1ccnc1C(Nc1cc(Cl)ccc1Br)c1cccs1
InChIInChI=1S/C15H13BrClN3S/c1-20-7-6-18-15(20)14(13-3-2-8-21-13)19-12-9-10(17)4-5-11(12)16/h2-9,14,19H,1H3
InChIKeyJHQDJRYRKMZUCT-UHFFFAOYSA-N
MW382.71 g/mol
LogP5.10
Rot. Bonds4

About 2-bromo-5-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline

2-bromo-5-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline (PubChem CID 81270186) has the molecular formula C15H13BrClN3S and a molecular weight of 382.71 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
PubChem CID81270186
Molecular FormulaC15H13BrClN3S
Molecular Weight382.71 g/mol
Exact Mass380.97
IUPAC Name2-bromo-5-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
SMILESCn1ccnc1C(Nc1cc(Cl)ccc1Br)c1cccs1
InChIInChI=1S/C15H13BrClN3S/c1-20-7-6-18-15(20)14(13-3-2-8-21-13)19-12-9-10(17)4-5-11(12)16/h2-9,14,19H,1H3
InChIKeyJHQDJRYRKMZUCT-UHFFFAOYSA-N
XLogP5.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.71
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-bromo-5-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
CID 43775963
3-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
CID 43762036
4-bromo-2-fluoro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
CID 43759717
2-fluoro-5-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
CID 43772741
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine
CID 82685624
(1S)-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine
CID 81398838
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine
CID 43770265
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998
2,5-dichloro-N-(dithiophen-2-ylmethyl)aniline
CID 43757202
3-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]propan-1-ol
CID 43770573
2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-3-yn-2-amine
CID 63999346
4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol
CID 106840967

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline?
The IUPAC name of 2-bromo-5-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline (CID 81270186) is 2-bromo-5-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline.
What is the SMILES notation for 2-bromo-5-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline?
The canonical SMILES for 2-bromo-5-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline is Cn1ccnc1C(Nc1cc(Cl)ccc1Br)c1cccs1.
What is the InChIKey of 2-bromo-5-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline?
The InChIKey is JHQDJRYRKMZUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN3S/c1-20-7-6-18-15(20)14(13-3-2-8-21-13)19-12-9-10(17)4-5-11(12)16/h2-9,14,19H,1H3.
What are the key properties of 2-bromo-5-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline?
2-bromo-5-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline has a molecular weight of 382.71 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline is sourced from PubChem (CID 81270186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).