2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-amine

C18H15ClFN5 — CID 4269781

IUPAC2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(-c2nc3ccccc3n2Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C18H15ClFN5/c1-11-9-17(21)25(23-11)18-22-15-7-2-3-8-16(15)24(18)10-12-13(19)5-4-6-14(12)20/h2-9H,10,21H2,1H3
InChIKeyRIHFBNFXTSRYAB-UHFFFAOYSA-N
MW355.80 g/mol
LogP3.95
Rot. Bonds3

About 2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-amine

2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-amine (PubChem CID 4269781) has the molecular formula C18H15ClFN5 and a molecular weight of 355.80 g/mol. Its IUPAC name is 2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-amine
PubChem CID4269781
Molecular FormulaC18H15ClFN5
Molecular Weight355.80 g/mol
Exact Mass355.10
IUPAC Name2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(-c2nc3ccccc3n2Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C18H15ClFN5/c1-11-9-17(21)25(23-11)18-22-15-7-2-3-8-16(15)24(18)10-12-13(19)5-4-6-14(12)20/h2-9H,10,21H2,1H3
InChIKeyRIHFBNFXTSRYAB-UHFFFAOYSA-N
XLogP3.95
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-amine?
The IUPAC name of 2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-amine (CID 4269781) is 2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-amine?
The canonical SMILES for 2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-amine is Cc1cc(N)n(-c2nc3ccccc3n2Cc2c(F)cccc2Cl)n1.
What is the InChIKey of 2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-amine?
The InChIKey is RIHFBNFXTSRYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN5/c1-11-9-17(21)25(23-11)18-22-15-7-2-3-8-16(15)24(18)10-12-13(19)5-4-6-14(12)20/h2-9H,10,21H2,1H3.
What are the key properties of 2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-amine?
2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-amine has a molecular weight of 355.80 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 4269781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).