1-(2-aminoethyl)-4-bromobenzimidazol-2-amine

C9H11BrN4 — CID 84804855

IUPAC1-(2-aminoethyl)-4-bromobenzimidazol-2-amine
SMILESNCCn1c(N)nc2c(Br)cccc21
InChIInChI=1S/C9H11BrN4/c10-6-2-1-3-7-8(6)13-9(12)14(7)5-4-11/h1-3H,4-5,11H2,(H2,12,13)
InChIKeyCQHIMEHPLQEEHV-UHFFFAOYSA-N
MW255.12 g/mol
LogP1.34
Rot. Bonds2

About 1-(2-aminoethyl)-4-bromobenzimidazol-2-amine

1-(2-aminoethyl)-4-bromobenzimidazol-2-amine (PubChem CID 84804855) has the molecular formula C9H11BrN4 and a molecular weight of 255.12 g/mol. Its IUPAC name is 1-(2-aminoethyl)-4-bromobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-aminoethyl)-4-bromobenzimidazol-2-amine
PubChem CID84804855
Molecular FormulaC9H11BrN4
Molecular Weight255.12 g/mol
Exact Mass254.02
IUPAC Name1-(2-aminoethyl)-4-bromobenzimidazol-2-amine
SMILESNCCn1c(N)nc2c(Br)cccc21
InChIInChI=1S/C9H11BrN4/c10-6-2-1-3-7-8(6)13-9(12)14(7)5-4-11/h1-3H,4-5,11H2,(H2,12,13)
InChIKeyCQHIMEHPLQEEHV-UHFFFAOYSA-N
XLogP1.34
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-propylbenzimidazol-2-amine
CID 84804649
3-(2-amino-4-bromobenzimidazol-1-yl)propanoic acid
CID 84739104
4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine
CID 54934889
1-[2-(4-chlorophenyl)ethyl]-4-fluorobenzimidazol-2-amine
CID 61380518
2-(7-bromoindazol-2-yl)ethanamine
CID 83397827
4-bromo-1-butyl-2-chlorobenzimidazole
CID 164912104
2-amino-1-ethylbenzimidazol-4-ol
CID 84767336
4-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 113450500
4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008397
4-fluoro-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816932
1-(2-cyclohexylethyl)-4-fluorobenzimidazol-2-amine
CID 54932950
3-(2-amino-4-chlorobenzimidazol-1-yl)propanoic acid
CID 84736899

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-4-bromobenzimidazol-2-amine?
The IUPAC name of 1-(2-aminoethyl)-4-bromobenzimidazol-2-amine (CID 84804855) is 1-(2-aminoethyl)-4-bromobenzimidazol-2-amine.
What is the SMILES notation for 1-(2-aminoethyl)-4-bromobenzimidazol-2-amine?
The canonical SMILES for 1-(2-aminoethyl)-4-bromobenzimidazol-2-amine is NCCn1c(N)nc2c(Br)cccc21.
What is the InChIKey of 1-(2-aminoethyl)-4-bromobenzimidazol-2-amine?
The InChIKey is CQHIMEHPLQEEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4/c10-6-2-1-3-7-8(6)13-9(12)14(7)5-4-11/h1-3H,4-5,11H2,(H2,12,13).
What are the key properties of 1-(2-aminoethyl)-4-bromobenzimidazol-2-amine?
1-(2-aminoethyl)-4-bromobenzimidazol-2-amine has a molecular weight of 255.12 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-4-bromobenzimidazol-2-amine is sourced from PubChem (CID 84804855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).