2-amino-4-bromo-1H-benzimidazole-5-carbonyl chloride

C8H5BrClN3O — CID 131092660

IUPAC2-amino-4-bromo-1H-benzimidazole-5-carbonyl chloride
SMILESNc1nc2c(Br)c(C(=O)Cl)ccc2[nH]1
InChIInChI=1S/C8H5BrClN3O/c9-5-3(7(10)14)1-2-4-6(5)13-8(11)12-4/h1-2H,(H3,11,12,13)
InChIKeyJZVPIGGUQRHDDH-UHFFFAOYSA-N
MW274.50 g/mol
LogP2.29
Rot. Bonds1

About 2-amino-4-bromo-1H-benzimidazole-5-carbonyl chloride

2-amino-4-bromo-1H-benzimidazole-5-carbonyl chloride (PubChem CID 131092660) has the molecular formula C8H5BrClN3O and a molecular weight of 274.50 g/mol. Its IUPAC name is 2-amino-4-bromo-1H-benzimidazole-5-carbonyl chloride.

Molecular Properties

Compound Name2-amino-4-bromo-1H-benzimidazole-5-carbonyl chloride
PubChem CID131092660
Molecular FormulaC8H5BrClN3O
Molecular Weight274.50 g/mol
Exact Mass272.93
IUPAC Name2-amino-4-bromo-1H-benzimidazole-5-carbonyl chloride
SMILESNc1nc2c(Br)c(C(=O)Cl)ccc2[nH]1
InChIInChI=1S/C8H5BrClN3O/c9-5-3(7(10)14)1-2-4-6(5)13-8(11)12-4/h1-2H,(H3,11,12,13)
InChIKeyJZVPIGGUQRHDDH-UHFFFAOYSA-N
XLogP2.29
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.50
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-5-methyl-1H-benzimidazol-2-amine
CID 130051699
2,4-dibromo-1H-benzimidazole-5-carboxylic acid
CID 131190484
4-bromo-5-methoxy-1H-benzimidazol-2-amine
CID 118526223
2-amino-1H-benzimidazole-4-carboxamide
CID 10442222
methyl 4-bromo-2-fluoro-1H-benzimidazole-5-carboxylate
CID 131389404
5-bromo-4-(bromomethyl)-1H-benzimidazol-2-amine
CID 130883683
2-amino-N-methyl-1H-benzimidazole-4-carboxamide
CID 166892984
5-chloro-4-methyl-1H-benzimidazol-2-amine
CID 84618510
2-amino-5-chloro-N-propan-2-yl-1H-benzimidazole-4-carboxamide
CID 162483344
4-(chloromethyl)-1H-benzimidazole-2,5-diamine
CID 131080307
2-(4-bromo-2-fluoro-1H-benzimidazol-5-yl)acetic acid
CID 131285842
4-chloro-1H-imidazo[4,5-c]pyridin-2-amine
CID 89405485

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-1H-benzimidazole-5-carbonyl chloride?
The IUPAC name of 2-amino-4-bromo-1H-benzimidazole-5-carbonyl chloride (CID 131092660) is 2-amino-4-bromo-1H-benzimidazole-5-carbonyl chloride.
What is the SMILES notation for 2-amino-4-bromo-1H-benzimidazole-5-carbonyl chloride?
The canonical SMILES for 2-amino-4-bromo-1H-benzimidazole-5-carbonyl chloride is Nc1nc2c(Br)c(C(=O)Cl)ccc2[nH]1.
What is the InChIKey of 2-amino-4-bromo-1H-benzimidazole-5-carbonyl chloride?
The InChIKey is JZVPIGGUQRHDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClN3O/c9-5-3(7(10)14)1-2-4-6(5)13-8(11)12-4/h1-2H,(H3,11,12,13).
What are the key properties of 2-amino-4-bromo-1H-benzimidazole-5-carbonyl chloride?
2-amino-4-bromo-1H-benzimidazole-5-carbonyl chloride has a molecular weight of 274.50 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-1H-benzimidazole-5-carbonyl chloride is sourced from PubChem (CID 131092660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).