5-bromo-4-(bromomethyl)-1H-benzimidazol-2-amine

C8H7Br2N3 — CID 130883683

IUPAC5-bromo-4-(bromomethyl)-1H-benzimidazol-2-amine
SMILESNc1nc2c(CBr)c(Br)ccc2[nH]1
InChIInChI=1S/C8H7Br2N3/c9-3-4-5(10)1-2-6-7(4)13-8(11)12-6/h1-2H,3H2,(H3,11,12,13)
InChIKeyFMZSHSPUKSSIMN-UHFFFAOYSA-N
MW304.97 g/mol
LogP2.80
Rot. Bonds1

About 5-bromo-4-(bromomethyl)-1H-benzimidazol-2-amine

5-bromo-4-(bromomethyl)-1H-benzimidazol-2-amine (PubChem CID 130883683) has the molecular formula C8H7Br2N3 and a molecular weight of 304.97 g/mol. Its IUPAC name is 5-bromo-4-(bromomethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-4-(bromomethyl)-1H-benzimidazol-2-amine
PubChem CID130883683
Molecular FormulaC8H7Br2N3
Molecular Weight304.97 g/mol
Exact Mass302.90
IUPAC Name5-bromo-4-(bromomethyl)-1H-benzimidazol-2-amine
SMILESNc1nc2c(CBr)c(Br)ccc2[nH]1
InChIInChI=1S/C8H7Br2N3/c9-3-4-5(10)1-2-6-7(4)13-8(11)12-6/h1-2H,3H2,(H3,11,12,13)
InChIKeyFMZSHSPUKSSIMN-UHFFFAOYSA-N
XLogP2.80
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.97
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-1H-benzimidazole-2,5-diamine
CID 131080307
4-bromo-5-methyl-1H-benzimidazol-2-amine
CID 130051699
4-bromo-5-methoxy-1H-benzimidazol-2-amine
CID 118526223
2-bromo-4-(bromomethyl)-5-(difluoromethyl)-1H-benzimidazole
CID 131475908
2-amino-4-bromo-1H-benzimidazole-5-carbonyl chloride
CID 131092660
(2-amino-7-bromo-1H-benzimidazol-4-yl)methanol
CID 130837922
5-chloro-4-methyl-1H-benzimidazol-2-amine
CID 84618510
1H-benzimidazole-2,4-diamine;hydrochloride
CID 169014009
7-(bromomethyl)-3H-benzimidazole-2,4-diamine
CID 130780242
4-chloro-1H-imidazo[4,5-c]pyridin-2-amine
CID 89405485
6-bromo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 177334868
5-ethoxy-4-fluoro-1H-benzimidazol-2-amine
CID 141151606

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(bromomethyl)-1H-benzimidazol-2-amine?
The IUPAC name of 5-bromo-4-(bromomethyl)-1H-benzimidazol-2-amine (CID 130883683) is 5-bromo-4-(bromomethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-4-(bromomethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 5-bromo-4-(bromomethyl)-1H-benzimidazol-2-amine is Nc1nc2c(CBr)c(Br)ccc2[nH]1.
What is the InChIKey of 5-bromo-4-(bromomethyl)-1H-benzimidazol-2-amine?
The InChIKey is FMZSHSPUKSSIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2N3/c9-3-4-5(10)1-2-6-7(4)13-8(11)12-6/h1-2H,3H2,(H3,11,12,13).
What are the key properties of 5-bromo-4-(bromomethyl)-1H-benzimidazol-2-amine?
5-bromo-4-(bromomethyl)-1H-benzimidazol-2-amine has a molecular weight of 304.97 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(bromomethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 130883683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).