2-[[2-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]aniline

C15H15N3S — CID 82557902

IUPAC2-[[2-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]aniline
SMILESNc1ccccc1Cn1ccnc1Cc1cccs1
InChIInChI=1S/C15H15N3S/c16-14-6-2-1-4-12(14)11-18-8-7-17-15(18)10-13-5-3-9-19-13/h1-9H,10-11,16H2
InChIKeyNQJBEUPFIHRLOV-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.17
Rot. Bonds4

About 2-[[2-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]aniline

2-[[2-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]aniline (PubChem CID 82557902) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[[2-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]aniline.

Molecular Properties

Compound Name2-[[2-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]aniline
PubChem CID82557902
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name2-[[2-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]aniline
SMILESNc1ccccc1Cn1ccnc1Cc1cccs1
InChIInChI=1S/C15H15N3S/c16-14-6-2-1-4-12(14)11-18-8-7-17-15(18)10-13-5-3-9-19-13/h1-9H,10-11,16H2
InChIKeyNQJBEUPFIHRLOV-UHFFFAOYSA-N
XLogP3.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82557938
2-[(2-pyridin-4-ylimidazol-1-yl)methyl]aniline
CID 82558959
2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]ethanamine
CID 63773737
2-[2-[(2-aminophenyl)methyl]imidazol-1-yl]acetic acid
CID 82558769
methyl 3-[[2-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]benzoate
CID 82560942
2-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]aniline
CID 82558825
2-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenol
CID 82559937
2-methyl-N-[[1-(thiophen-2-ylmethyl)imidazol-2-yl]methyl]propan-2-amine
CID 62223778
2-[[1-[3-(dimethylamino)propyl]imidazol-2-yl]methyl]aniline
CID 82558780
1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-4-amine
CID 82067986
2-[[2-(2-bromophenyl)imidazol-1-yl]methyl]aniline
CID 82559693
2-[(2-pyridin-3-ylimidazol-1-yl)methyl]aniline
CID 82558943

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]aniline?
The IUPAC name of 2-[[2-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]aniline (CID 82557902) is 2-[[2-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]aniline.
What is the SMILES notation for 2-[[2-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]aniline?
The canonical SMILES for 2-[[2-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]aniline is Nc1ccccc1Cn1ccnc1Cc1cccs1.
What is the InChIKey of 2-[[2-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]aniline?
The InChIKey is NQJBEUPFIHRLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c16-14-6-2-1-4-12(14)11-18-8-7-17-15(18)10-13-5-3-9-19-13/h1-9H,10-11,16H2.
What are the key properties of 2-[[2-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]aniline?
2-[[2-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]aniline has a molecular weight of 269.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]aniline is sourced from PubChem (CID 82557902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).