6-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine

C12H13BrN6 — CID 80689130

IUPAC6-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
SMILESCn1cnc(CCn2c(N)nc3ccc(Br)cc32)n1
InChIInChI=1S/C12H13BrN6/c1-18-7-15-11(17-18)4-5-19-10-6-8(13)2-3-9(10)16-12(19)14/h2-3,6-7H,4-5H2,1H3,(H2,14,16)
InChIKeyYHMKMANMVLXCSS-UHFFFAOYSA-N
MW321.18 g/mol
LogP1.75
Rot. Bonds3

About 6-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine

6-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine (PubChem CID 80689130) has the molecular formula C12H13BrN6 and a molecular weight of 321.18 g/mol. Its IUPAC name is 6-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
PubChem CID80689130
Molecular FormulaC12H13BrN6
Molecular Weight321.18 g/mol
Exact Mass320.04
IUPAC Name6-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
SMILESCn1cnc(CCn2c(N)nc3ccc(Br)cc32)n1
InChIInChI=1S/C12H13BrN6/c1-18-7-15-11(17-18)4-5-19-10-6-8(13)2-3-9(10)16-12(19)14/h2-3,6-7H,4-5H2,1H3,(H2,14,16)
InChIKeyYHMKMANMVLXCSS-UHFFFAOYSA-N
XLogP1.75
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-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

5-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 80688565
6-bromo-1-(2-phenylethyl)benzimidazol-2-amine
CID 65346773
6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine
CID 65347072
6-bromo-1-[2-(2-fluorophenyl)ethyl]benzimidazol-2-amine
CID 65347258
3-(2-amino-6-bromobenzimidazol-1-yl)propanoic acid
CID 84739102
4-chloro-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 104837217
6-bromo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
CID 65346726
5-bromo-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 63330148
6-bromo-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-2-amine
CID 65344818
6-bromo-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazol-2-amine
CID 65344674
6-bromo-1-[2-(dimethylamino)propyl]benzimidazol-2-amine
CID 65344571
3-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide
CID 65345248

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 6-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine (CID 80689130) is 6-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine is Cn1cnc(CCn2c(N)nc3ccc(Br)cc32)n1.
What is the InChIKey of 6-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine?
The InChIKey is YHMKMANMVLXCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN6/c1-18-7-15-11(17-18)4-5-19-10-6-8(13)2-3-9(10)16-12(19)14/h2-3,6-7H,4-5H2,1H3,(H2,14,16).
What are the key properties of 6-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine?
6-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine has a molecular weight of 321.18 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 80689130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).