N-[(4-bromothiophen-2-yl)methyl]-1-imidazol-1-ylpropan-2-amine

C11H14BrN3S — CID 43435635

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-imidazol-1-ylpropan-2-amine
SMILESCC(Cn1ccnc1)NCc1cc(Br)cs1
InChIInChI=1S/C11H14BrN3S/c1-9(6-15-3-2-13-8-15)14-5-11-4-10(12)7-16-11/h2-4,7-9,14H,5-6H2,1H3
InChIKeyIGGULHVLTJDNHB-UHFFFAOYSA-N
MW300.23 g/mol
LogP2.89
Rot. Bonds5

About N-[(4-bromothiophen-2-yl)methyl]-1-imidazol-1-ylpropan-2-amine

N-[(4-bromothiophen-2-yl)methyl]-1-imidazol-1-ylpropan-2-amine (PubChem CID 43435635) has the molecular formula C11H14BrN3S and a molecular weight of 300.23 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1-imidazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-imidazol-1-ylpropan-2-amine
PubChem CID43435635
Molecular FormulaC11H14BrN3S
Molecular Weight300.23 g/mol
Exact Mass299.01
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-imidazol-1-ylpropan-2-amine
SMILESCC(Cn1ccnc1)NCc1cc(Br)cs1
InChIInChI=1S/C11H14BrN3S/c1-9(6-15-3-2-13-8-15)14-5-11-4-10(12)7-16-11/h2-4,7-9,14H,5-6H2,1H3
InChIKeyIGGULHVLTJDNHB-UHFFFAOYSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61067220
(2S)-N-[(3-bromo-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 51683999
5-[(1-imidazol-1-ylpropan-2-ylamino)methyl]thiophene-2-carboxylic acid
CID 103246721
N-[1-(4-bromothiophen-2-yl)ethyl]-4-imidazol-1-ylbutan-1-amine
CID 107167300
1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 43435582
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol
CID 43435560
(2R)-1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 38061827
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-imidazol-1-ylpropan-2-amine
CID 56703534
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzene-1,3-diol
CID 43749681
(2R)-1-imidazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 38061791
1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine;hydrochloride
CID 47030748
(2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833486

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-imidazol-1-ylpropan-2-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-imidazol-1-ylpropan-2-amine (CID 43435635) is N-[(4-bromothiophen-2-yl)methyl]-1-imidazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1-imidazol-1-ylpropan-2-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-imidazol-1-ylpropan-2-amine is CC(Cn1ccnc1)NCc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-imidazol-1-ylpropan-2-amine?
The InChIKey is IGGULHVLTJDNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3S/c1-9(6-15-3-2-13-8-15)14-5-11-4-10(12)7-16-11/h2-4,7-9,14H,5-6H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-imidazol-1-ylpropan-2-amine?
N-[(4-bromothiophen-2-yl)methyl]-1-imidazol-1-ylpropan-2-amine has a molecular weight of 300.23 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-1-imidazol-1-ylpropan-2-amine is sourced from PubChem (CID 43435635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).