4-bromo-1-propylbenzimidazol-2-amine

C10H12BrN3 — CID 84804649

IUPAC4-bromo-1-propylbenzimidazol-2-amine
SMILESCCCn1c(N)nc2c(Br)cccc21
InChIInChI=1S/C10H12BrN3/c1-2-6-14-8-5-3-4-7(11)9(8)13-10(14)12/h3-5H,2,6H2,1H3,(H2,12,13)
InChIKeyIEEBFBJSMNIQFH-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.79
Rot. Bonds2

About 4-bromo-1-propylbenzimidazol-2-amine

4-bromo-1-propylbenzimidazol-2-amine (PubChem CID 84804649) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 4-bromo-1-propylbenzimidazol-2-amine.

Molecular Properties

Compound Name4-bromo-1-propylbenzimidazol-2-amine
PubChem CID84804649
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name4-bromo-1-propylbenzimidazol-2-amine
SMILESCCCn1c(N)nc2c(Br)cccc21
InChIInChI=1S/C10H12BrN3/c1-2-6-14-8-5-3-4-7(11)9(8)13-10(14)12/h3-5H,2,6H2,1H3,(H2,12,13)
InChIKeyIEEBFBJSMNIQFH-UHFFFAOYSA-N
XLogP2.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-1-propylbenzimidazol-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

1-(2-aminoethyl)-4-bromobenzimidazol-2-amine
CID 84804855
3-(2-amino-4-bromobenzimidazol-1-yl)propanoic acid
CID 84739104
4-bromo-1-butyl-2-chlorobenzimidazole
CID 164912104
2-bromo-1-propylbenzimidazol-4-ol
CID 84804853
2-amino-1-ethylbenzimidazol-4-ol
CID 84767336
1-[2-(diethylamino)ethyl]-4-methylbenzimidazol-2-amine
CID 114041636
5-bromo-6-fluoro-1-propylbenzimidazol-2-amine
CID 66088233
2-pentan-3-yl-1-propylbenzimidazol-4-amine
CID 82067555
4-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 113450500
4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine
CID 54934889
1-bromo-9-propylcarbazole
CID 141387102
7-bromo-1-ethylbenzimidazol-2-amine
CID 84800337

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-propylbenzimidazol-2-amine?
The IUPAC name of 4-bromo-1-propylbenzimidazol-2-amine (CID 84804649) is 4-bromo-1-propylbenzimidazol-2-amine.
What is the SMILES notation for 4-bromo-1-propylbenzimidazol-2-amine?
The canonical SMILES for 4-bromo-1-propylbenzimidazol-2-amine is CCCn1c(N)nc2c(Br)cccc21.
What is the InChIKey of 4-bromo-1-propylbenzimidazol-2-amine?
The InChIKey is IEEBFBJSMNIQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-2-6-14-8-5-3-4-7(11)9(8)13-10(14)12/h3-5H,2,6H2,1H3,(H2,12,13).
What are the key properties of 4-bromo-1-propylbenzimidazol-2-amine?
4-bromo-1-propylbenzimidazol-2-amine has a molecular weight of 254.13 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-propylbenzimidazol-2-amine is sourced from PubChem (CID 84804649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).