6-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-benzimidazol-2-amine

C12H9Cl2N5 — CID 626240

IUPAC6-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-benzimidazol-2-amine
SMILESCc1cc(Cl)nc(Nc2nc3ccc(Cl)cc3[nH]2)n1
InChIInChI=1S/C12H9Cl2N5/c1-6-4-10(14)18-11(15-6)19-12-16-8-3-2-7(13)5-9(8)17-12/h2-5H,1H3,(H2,15,16,17,18,19)
InChIKeyLICBCYFZKLQMLI-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.71
Rot. Bonds2

About 6-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-benzimidazol-2-amine

6-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-benzimidazol-2-amine (PubChem CID 626240) has the molecular formula C12H9Cl2N5 and a molecular weight of 294.15 g/mol. Its IUPAC name is 6-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-benzimidazol-2-amine
PubChem CID626240
Molecular FormulaC12H9Cl2N5
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name6-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-benzimidazol-2-amine
SMILESCc1cc(Cl)nc(Nc2nc3ccc(Cl)cc3[nH]2)n1
InChIInChI=1S/C12H9Cl2N5/c1-6-4-10(14)18-11(15-6)19-12-16-8-3-2-7(13)5-9(8)17-12/h2-5H,1H3,(H2,15,16,17,18,19)
InChIKeyLICBCYFZKLQMLI-UHFFFAOYSA-N
XLogP3.71
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-benzimidazol-2-amine?
The IUPAC name of 6-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-benzimidazol-2-amine (CID 626240) is 6-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for 6-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-benzimidazol-2-amine is Cc1cc(Cl)nc(Nc2nc3ccc(Cl)cc3[nH]2)n1.
What is the InChIKey of 6-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-benzimidazol-2-amine?
The InChIKey is LICBCYFZKLQMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N5/c1-6-4-10(14)18-11(15-6)19-12-16-8-3-2-7(13)5-9(8)17-12/h2-5H,1H3,(H2,15,16,17,18,19).
What are the key properties of 6-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-benzimidazol-2-amine?
6-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-benzimidazol-2-amine has a molecular weight of 294.15 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 626240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).