N-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine

C12H14BrN3 — CID 60836537

IUPACN-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine
SMILESCn1c(CNC2CC2)nc2cc(Br)ccc21
InChIInChI=1S/C12H14BrN3/c1-16-11-5-2-8(13)6-10(11)15-12(16)7-14-9-3-4-9/h2,5-6,9,14H,3-4,7H2,1H3
InChIKeyYGFKRNGGHHJEMC-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.59
Rot. Bonds3

About N-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine

N-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine (PubChem CID 60836537) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is N-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine
PubChem CID60836537
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC NameN-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine
SMILESCn1c(CNC2CC2)nc2cc(Br)ccc21
InChIInChI=1S/C12H14BrN3/c1-16-11-5-2-8(13)6-10(11)15-12(16)7-14-9-3-4-9/h2,5-6,9,14H,3-4,7H2,1H3
InChIKeyYGFKRNGGHHJEMC-UHFFFAOYSA-N
XLogP2.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromo-1-methylbenzimidazol-2-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

N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclopropanamine
CID 80711654
5-bromo-2-ethyl-1-methylbenzimidazole
CID 84701099
N-[2-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 54924007
N-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine
CID 60665222
N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine
CID 63001270
4-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509662
N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 154747523
N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 60835697
N-[2-(1,5,6-trimethylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 84631024
N-[2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethyl]cyclopropanamine
CID 81455530
4-(5-bromo-1-methylbenzimidazol-2-yl)-2-methylbutan-1-amine
CID 82683696
3-(5-bromo-1-methylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one
CID 79873273

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine (CID 60836537) is N-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine is Cn1c(CNC2CC2)nc2cc(Br)ccc21.
What is the InChIKey of N-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine?
The InChIKey is YGFKRNGGHHJEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-16-11-5-2-8(13)6-10(11)15-12(16)7-14-9-3-4-9/h2,5-6,9,14H,3-4,7H2,1H3.
What are the key properties of N-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine?
N-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine has a molecular weight of 280.17 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 60836537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).