6-bromo-5-chloro-1-methylbenzimidazol-2-amine

C8H7BrClN3 — CID 167736455

IUPAC6-bromo-5-chloro-1-methylbenzimidazol-2-amine
SMILESCn1c(N)nc2cc(Cl)c(Br)cc21
InChIInChI=1S/C8H7BrClN3/c1-13-7-2-4(9)5(10)3-6(7)12-8(13)11/h2-3H,1H3,(H2,11,12)
InChIKeyWJMIKNDDKYUWLK-UHFFFAOYSA-N
MW260.52 g/mol
LogP2.57
Rot. Bonds

About 6-bromo-5-chloro-1-methylbenzimidazol-2-amine

6-bromo-5-chloro-1-methylbenzimidazol-2-amine (PubChem CID 167736455) has the molecular formula C8H7BrClN3 and a molecular weight of 260.52 g/mol. Its IUPAC name is 6-bromo-5-chloro-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-5-chloro-1-methylbenzimidazol-2-amine
PubChem CID167736455
Molecular FormulaC8H7BrClN3
Molecular Weight260.52 g/mol
Exact Mass258.95
IUPAC Name6-bromo-5-chloro-1-methylbenzimidazol-2-amine
SMILESCn1c(N)nc2cc(Cl)c(Br)cc21
InChIInChI=1S/C8H7BrClN3/c1-13-7-2-4(9)5(10)3-6(7)12-8(13)11/h2-3H,1H3,(H2,11,12)
InChIKeyWJMIKNDDKYUWLK-UHFFFAOYSA-N
XLogP2.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.52
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-chloro-1-methylbenzimidazol-2-amine?
The IUPAC name of 6-bromo-5-chloro-1-methylbenzimidazol-2-amine (CID 167736455) is 6-bromo-5-chloro-1-methylbenzimidazol-2-amine.
What is the SMILES notation for 6-bromo-5-chloro-1-methylbenzimidazol-2-amine?
The canonical SMILES for 6-bromo-5-chloro-1-methylbenzimidazol-2-amine is Cn1c(N)nc2cc(Cl)c(Br)cc21.
What is the InChIKey of 6-bromo-5-chloro-1-methylbenzimidazol-2-amine?
The InChIKey is WJMIKNDDKYUWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClN3/c1-13-7-2-4(9)5(10)3-6(7)12-8(13)11/h2-3H,1H3,(H2,11,12).
What are the key properties of 6-bromo-5-chloro-1-methylbenzimidazol-2-amine?
6-bromo-5-chloro-1-methylbenzimidazol-2-amine has a molecular weight of 260.52 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-chloro-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 167736455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).