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

C11H12BrN3S — CID 106575655

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-cyclopropylimidazol-2-amine
SMILESBrc1csc(CNc2nccn2C2CC2)c1
InChIInChI=1S/C11H12BrN3S/c12-8-5-10(16-7-8)6-14-11-13-3-4-15(11)9-1-2-9/h3-5,7,9H,1-2,6H2,(H,13,14)
InChIKeyAAEMLWGRYBYIKK-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.65
Rot. Bonds4

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

N-[(4-bromothiophen-2-yl)methyl]-1-cyclopropylimidazol-2-amine (PubChem CID 106575655) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1-cyclopropylimidazol-2-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-cyclopropylimidazol-2-amine
PubChem CID106575655
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-cyclopropylimidazol-2-amine
SMILESBrc1csc(CNc2nccn2C2CC2)c1
InChIInChI=1S/C11H12BrN3S/c12-8-5-10(16-7-8)6-14-11-13-3-4-15(11)9-1-2-9/h3-5,7,9H,1-2,6H2,(H,13,14)
InChIKeyAAEMLWGRYBYIKK-UHFFFAOYSA-N
XLogP3.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-bromothiophen-2-yl)methyl]-1-cyclopropylimidazol-2-amine 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

N-benzyl-1-cyclopropylimidazol-2-amine
CID 106555906
1-cyclopropyl-N-propylimidazol-2-amine
CID 106554744
1-cyclopropyl-N-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560101
1-cyclopropyl-N-[(2-fluorophenyl)methyl]imidazol-2-amine
CID 106559126
N-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine
CID 115777283
1-cyclopropyl-N-(2,5-dibromophenyl)imidazol-2-amine
CID 106566388
N,1-dicyclopropylimidazol-2-amine
CID 106554949
1-cyclopentyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine
CID 106567817
1-cyclohexyl-N-[(3,4-difluorophenyl)methyl]imidazol-2-amine
CID 106565229
1-cyclohexyl-N-[(4-fluorophenyl)methyl]imidazol-2-amine
CID 106558880
1-cyclopropyl-N-(2-methylsulfanylpropyl)imidazol-2-amine
CID 106580964
N-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361676

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-cyclopropylimidazol-2-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-cyclopropylimidazol-2-amine (CID 106575655) is N-[(4-bromothiophen-2-yl)methyl]-1-cyclopropylimidazol-2-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1-cyclopropylimidazol-2-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-cyclopropylimidazol-2-amine is Brc1csc(CNc2nccn2C2CC2)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-cyclopropylimidazol-2-amine?
The InChIKey is AAEMLWGRYBYIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c12-8-5-10(16-7-8)6-14-11-13-3-4-15(11)9-1-2-9/h3-5,7,9H,1-2,6H2,(H,13,14).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-cyclopropylimidazol-2-amine?
N-[(4-bromothiophen-2-yl)methyl]-1-cyclopropylimidazol-2-amine has a molecular weight of 298.21 g/mol, XLogP of 3.65, 4 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-cyclopropylimidazol-2-amine is sourced from PubChem (CID 106575655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).