6-bromo-1-[(1-ethylcyclobutyl)methyl]benzimidazol-2-amine

C14H18BrN3 — CID 114108859

IUPAC6-bromo-1-[(1-ethylcyclobutyl)methyl]benzimidazol-2-amine
SMILESCCC1(Cn2c(N)nc3ccc(Br)cc32)CCC1
InChIInChI=1S/C14H18BrN3/c1-2-14(6-3-7-14)9-18-12-8-10(15)4-5-11(12)17-13(18)16/h4-5,8H,2-3,6-7,9H2,1H3,(H2,16,17)
InChIKeyIXJZCLIVJUZVQS-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.96
Rot. Bonds3

About 6-bromo-1-[(1-ethylcyclobutyl)methyl]benzimidazol-2-amine

6-bromo-1-[(1-ethylcyclobutyl)methyl]benzimidazol-2-amine (PubChem CID 114108859) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 6-bromo-1-[(1-ethylcyclobutyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-[(1-ethylcyclobutyl)methyl]benzimidazol-2-amine
PubChem CID114108859
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name6-bromo-1-[(1-ethylcyclobutyl)methyl]benzimidazol-2-amine
SMILESCCC1(Cn2c(N)nc3ccc(Br)cc32)CCC1
InChIInChI=1S/C14H18BrN3/c1-2-14(6-3-7-14)9-18-12-8-10(15)4-5-11(12)17-13(18)16/h4-5,8H,2-3,6-7,9H2,1H3,(H2,16,17)
InChIKeyIXJZCLIVJUZVQS-UHFFFAOYSA-N
XLogP3.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-1-[(1-ethylcyclobutyl)methyl]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

6-bromo-1-[(1-ethylcyclopropyl)methyl]-5-fluorobenzimidazol-2-amine
CID 114101078
6-bromo-1-[2-(dimethylamino)propyl]benzimidazol-2-amine
CID 65344571
1-[[1-[(2-aminobenzimidazol-1-yl)methyl]cyclohexyl]methyl]benzimidazol-2-amine
CID 70205884
6-bromo-1-(3-ethylpentan-3-yl)benzimidazol-2-amine
CID 65345208
3-(2-amino-6-bromobenzimidazol-1-yl)propanoic acid
CID 84739102
6-bromo-1-(2-ethylcyclohexyl)benzimidazol-2-amine
CID 65347461
6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine
CID 65347072
6-bromo-1-[(1-ethylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
CID 65346977
2-(2-amino-6-bromobenzimidazol-1-yl)-N,N-dimethylacetamide
CID 65347169
6-bromo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
CID 65346726
6-bromo-1-(2-phenylethyl)benzimidazol-2-amine
CID 65346773
6-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 80689130

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(1-ethylcyclobutyl)methyl]benzimidazol-2-amine?
The IUPAC name of 6-bromo-1-[(1-ethylcyclobutyl)methyl]benzimidazol-2-amine (CID 114108859) is 6-bromo-1-[(1-ethylcyclobutyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-[(1-ethylcyclobutyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-[(1-ethylcyclobutyl)methyl]benzimidazol-2-amine is CCC1(Cn2c(N)nc3ccc(Br)cc32)CCC1.
What is the InChIKey of 6-bromo-1-[(1-ethylcyclobutyl)methyl]benzimidazol-2-amine?
The InChIKey is IXJZCLIVJUZVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-2-14(6-3-7-14)9-18-12-8-10(15)4-5-11(12)17-13(18)16/h4-5,8H,2-3,6-7,9H2,1H3,(H2,16,17).
What are the key properties of 6-bromo-1-[(1-ethylcyclobutyl)methyl]benzimidazol-2-amine?
6-bromo-1-[(1-ethylcyclobutyl)methyl]benzimidazol-2-amine has a molecular weight of 308.22 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(1-ethylcyclobutyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 114108859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).