(6-bromo-4-methyl-1H-benzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine

C13H14BrN5 — CID 104574201

IUPAC(6-bromo-4-methyl-1H-benzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
SMILESCc1cc(Br)cc2[nH]c(C(N)c3cnn(C)c3)nc12
InChIInChI=1S/C13H14BrN5/c1-7-3-9(14)4-10-12(7)18-13(17-10)11(15)8-5-16-19(2)6-8/h3-6,11H,15H2,1-2H3,(H,17,18)
InChIKeyYSJIMKZEJNUPBI-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.42
Rot. Bonds2

About (6-bromo-4-methyl-1H-benzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine

(6-bromo-4-methyl-1H-benzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine (PubChem CID 104574201) has the molecular formula C13H14BrN5 and a molecular weight of 320.19 g/mol. Its IUPAC name is (6-bromo-4-methyl-1H-benzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(6-bromo-4-methyl-1H-benzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
PubChem CID104574201
Molecular FormulaC13H14BrN5
Molecular Weight320.19 g/mol
Exact Mass319.04
IUPAC Name(6-bromo-4-methyl-1H-benzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
SMILESCc1cc(Br)cc2[nH]c(C(N)c3cnn(C)c3)nc12
InChIInChI=1S/C13H14BrN5/c1-7-3-9(14)4-10-12(7)18-13(17-10)11(15)8-5-16-19(2)6-8/h3-6,11H,15H2,1-2H3,(H,17,18)
InChIKeyYSJIMKZEJNUPBI-UHFFFAOYSA-N
XLogP2.42
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-4-methyl-1H-benzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of (6-bromo-4-methyl-1H-benzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine (CID 104574201) is (6-bromo-4-methyl-1H-benzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for (6-bromo-4-methyl-1H-benzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for (6-bromo-4-methyl-1H-benzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine is Cc1cc(Br)cc2[nH]c(C(N)c3cnn(C)c3)nc12.
What is the InChIKey of (6-bromo-4-methyl-1H-benzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is YSJIMKZEJNUPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN5/c1-7-3-9(14)4-10-12(7)18-13(17-10)11(15)8-5-16-19(2)6-8/h3-6,11H,15H2,1-2H3,(H,17,18).
What are the key properties of (6-bromo-4-methyl-1H-benzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine?
(6-bromo-4-methyl-1H-benzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 320.19 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-4-methyl-1H-benzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 104574201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).