6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine

C11H14BrN3O — CID 65347072

IUPAC6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine
SMILESCOCCCn1c(N)nc2ccc(Br)cc21
InChIInChI=1S/C11H14BrN3O/c1-16-6-2-5-15-10-7-8(12)3-4-9(10)14-11(15)13/h3-4,7H,2,5-6H2,1H3,(H2,13,14)
InChIKeyYURJDEGCDZWVKQ-UHFFFAOYSA-N
MW284.16 g/mol
LogP2.42
Rot. Bonds4

About 6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine

6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine (PubChem CID 65347072) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine
PubChem CID65347072
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine
SMILESCOCCCn1c(N)nc2ccc(Br)cc21
InChIInChI=1S/C11H14BrN3O/c1-16-6-2-5-15-10-7-8(12)3-4-9(10)14-11(15)13/h3-4,7H,2,5-6H2,1H3,(H2,13,14)
InChIKeyYURJDEGCDZWVKQ-UHFFFAOYSA-N
XLogP2.42
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-bromo-1-(3-methoxypropyl)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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine?
The IUPAC name of 6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine (CID 65347072) is 6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine is COCCCn1c(N)nc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine?
The InChIKey is YURJDEGCDZWVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-16-6-2-5-15-10-7-8(12)3-4-9(10)14-11(15)13/h3-4,7H,2,5-6H2,1H3,(H2,13,14).
What are the key properties of 6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine?
6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine has a molecular weight of 284.16 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine is sourced from PubChem (CID 65347072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).