5,6-dichloro-1-methylbenzimidazol-2-amine

C8H7Cl2N3 — CID 612073

IUPAC5,6-dichloro-1-methylbenzimidazol-2-amine
SMILESCn1c(N)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C8H7Cl2N3/c1-13-7-3-5(10)4(9)2-6(7)12-8(13)11/h2-3H,1H3,(H2,11,12)
InChIKeyORDJDFMGHFRKJS-UHFFFAOYSA-N
MW216.07 g/mol
LogP2.46
Rot. Bonds

About 5,6-dichloro-1-methylbenzimidazol-2-amine

5,6-dichloro-1-methylbenzimidazol-2-amine (PubChem CID 612073) has the molecular formula C8H7Cl2N3 and a molecular weight of 216.07 g/mol. Its IUPAC name is 5,6-dichloro-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name5,6-dichloro-1-methylbenzimidazol-2-amine
PubChem CID612073
Molecular FormulaC8H7Cl2N3
Molecular Weight216.07 g/mol
Exact Mass215.00
IUPAC Name5,6-dichloro-1-methylbenzimidazol-2-amine
SMILESCn1c(N)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C8H7Cl2N3/c1-13-7-3-5(10)4(9)2-6(7)12-8(13)11/h2-3H,1H3,(H2,11,12)
InChIKeyORDJDFMGHFRKJS-UHFFFAOYSA-N
XLogP2.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.07
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1-methylbenzimidazol-2-amine?
The IUPAC name of 5,6-dichloro-1-methylbenzimidazol-2-amine (CID 612073) is 5,6-dichloro-1-methylbenzimidazol-2-amine.
What is the SMILES notation for 5,6-dichloro-1-methylbenzimidazol-2-amine?
The canonical SMILES for 5,6-dichloro-1-methylbenzimidazol-2-amine is Cn1c(N)nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 5,6-dichloro-1-methylbenzimidazol-2-amine?
The InChIKey is ORDJDFMGHFRKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N3/c1-13-7-3-5(10)4(9)2-6(7)12-8(13)11/h2-3H,1H3,(H2,11,12).
What are the key properties of 5,6-dichloro-1-methylbenzimidazol-2-amine?
5,6-dichloro-1-methylbenzimidazol-2-amine has a molecular weight of 216.07 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 612073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).