N-[[3-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine

C13H18BrN3S — CID 66150379

IUPACN-[[3-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cncn1Cc1cc(Br)cs1
InChIInChI=1S/C13H18BrN3S/c1-13(2,3)16-6-11-5-15-9-17(11)7-12-4-10(14)8-18-12/h4-5,8-9,16H,6-7H2,1-3H3
InChIKeyFILULLDWSUWPJS-UHFFFAOYSA-N
MW328.28 g/mol
LogP3.64
Rot. Bonds4

About N-[[3-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[3-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66150379) has the molecular formula C13H18BrN3S and a molecular weight of 328.28 g/mol. Its IUPAC name is N-[[3-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID66150379
Molecular FormulaC13H18BrN3S
Molecular Weight328.28 g/mol
Exact Mass327.04
IUPAC NameN-[[3-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cncn1Cc1cc(Br)cs1
InChIInChI=1S/C13H18BrN3S/c1-13(2,3)16-6-11-5-15-9-17(11)7-12-4-10(14)8-18-12/h4-5,8-9,16H,6-7H2,1-3H3
InChIKeyFILULLDWSUWPJS-UHFFFAOYSA-N
XLogP3.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(4-bromothiophen-2-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66402996
2-methyl-N-[[3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66150721
N-[[3-[(3-bromophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66147784
2-methyl-N-[[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 107447009
2-methyl-N-[[3-(2-thiophen-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66147964
N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66146275
N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66146500
N-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine
CID 62550442
N-[[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66148632
2-methyl-N-[[3-(4-methylpentyl)imidazol-4-yl]methyl]propan-2-amine
CID 66150352
N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114541567
N-[(4-bromothiophen-2-yl)methyl]-4-[(tert-butylamino)methyl]-N-methylaniline
CID 63550999

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine (CID 66150379) is N-[[3-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cncn1Cc1cc(Br)cs1.
What is the InChIKey of N-[[3-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is FILULLDWSUWPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3S/c1-13(2,3)16-6-11-5-15-9-17(11)7-12-4-10(14)8-18-12/h4-5,8-9,16H,6-7H2,1-3H3.
What are the key properties of N-[[3-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 328.28 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66150379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).