N-[[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine

C12H14BrN3S — CID 66150168

IUPACN-[[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESBrc1ccc(Cn2cncc2CNC2CC2)s1
InChIInChI=1S/C12H14BrN3S/c13-12-4-3-11(17-12)7-16-8-14-5-10(16)6-15-9-1-2-9/h3-5,8-9,15H,1-2,6-7H2
InChIKeyMCLYFQORKMBTGQ-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.01
Rot. Bonds5

About N-[[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine

N-[[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 66150168) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is N-[[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine
PubChem CID66150168
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC NameN-[[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESBrc1ccc(Cn2cncc2CNC2CC2)s1
InChIInChI=1S/C12H14BrN3S/c13-12-4-3-11(17-12)7-16-8-14-5-10(16)6-15-9-1-2-9/h3-5,8-9,15H,1-2,6-7H2
InChIKeyMCLYFQORKMBTGQ-UHFFFAOYSA-N
XLogP3.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine 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

2-[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]ethanamine
CID 114720975
N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66147318
N-[[3-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66150969
N-[[3-[(3-chlorophenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66151383
N-[[3-(cyclobutylmethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66148807
N-[[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66150756
4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 62314221
N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
N-[[3-(3,3,3-trifluoropropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66151603
4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine
CID 66129378
[4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 103753139
N-[(5-bromothiophen-2-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63452327

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine (CID 66150168) is N-[[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine is Brc1ccc(Cn2cncc2CNC2CC2)s1.
What is the InChIKey of N-[[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is MCLYFQORKMBTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c13-12-4-3-11(17-12)7-16-8-14-5-10(16)6-15-9-1-2-9/h3-5,8-9,15H,1-2,6-7H2.
What are the key properties of N-[[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
N-[[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 312.24 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66150168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).