4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-5-amine

C10H7BrFN5 — CID 79630920

IUPAC4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1nc2cc(Br)c(F)cc2[nH]1
InChIInChI=1S/C10H7BrFN5/c11-5-1-7-8(2-6(5)12)16-10(15-7)4-3-14-17-9(4)13/h1-3H,(H,15,16)(H3,13,14,17)
InChIKeyYMNZEQPFBWMBSC-UHFFFAOYSA-N
MW296.10 g/mol
LogP2.44
Rot. Bonds1

About 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-5-amine

4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-5-amine (PubChem CID 79630920) has the molecular formula C10H7BrFN5 and a molecular weight of 296.10 g/mol. Its IUPAC name is 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-5-amine
PubChem CID79630920
Molecular FormulaC10H7BrFN5
Molecular Weight296.10 g/mol
Exact Mass294.99
IUPAC Name4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1nc2cc(Br)c(F)cc2[nH]1
InChIInChI=1S/C10H7BrFN5/c11-5-1-7-8(2-6(5)12)16-10(15-7)4-3-14-17-9(4)13/h1-3H,(H,15,16)(H3,13,14,17)
InChIKeyYMNZEQPFBWMBSC-UHFFFAOYSA-N
XLogP2.44
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.10
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-5-amine (CID 79630920) is 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1nc2cc(Br)c(F)cc2[nH]1.
What is the InChIKey of 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-5-amine?
The InChIKey is YMNZEQPFBWMBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFN5/c11-5-1-7-8(2-6(5)12)16-10(15-7)4-3-14-17-9(4)13/h1-3H,(H,15,16)(H3,13,14,17).
What are the key properties of 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-5-amine?
4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-5-amine has a molecular weight of 296.10 g/mol, XLogP of 2.44, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 79630920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).