1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6-difluorobenzimidazole

C18H13ClF2N4 — CID 78881099

IUPAC1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6-difluorobenzimidazole
SMILESCc1nn(-c2ccccc2)c(Cl)c1Cn1cnc2cc(F)c(F)cc21
InChIInChI=1S/C18H13ClF2N4/c1-11-13(18(19)25(23-11)12-5-3-2-4-6-12)9-24-10-22-16-7-14(20)15(21)8-17(16)24/h2-8,10H,9H2,1H3
InChIKeyGQQBCXNKMHFWCZ-UHFFFAOYSA-N
MW358.78 g/mol
LogP4.51
Rot. Bonds3

About 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6-difluorobenzimidazole

1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6-difluorobenzimidazole (PubChem CID 78881099) has the molecular formula C18H13ClF2N4 and a molecular weight of 358.78 g/mol. Its IUPAC name is 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6-difluorobenzimidazole.

Molecular Properties

Compound Name1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6-difluorobenzimidazole
PubChem CID78881099
Molecular FormulaC18H13ClF2N4
Molecular Weight358.78 g/mol
Exact Mass358.08
IUPAC Name1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6-difluorobenzimidazole
SMILESCc1nn(-c2ccccc2)c(Cl)c1Cn1cnc2cc(F)c(F)cc21
InChIInChI=1S/C18H13ClF2N4/c1-11-13(18(19)25(23-11)12-5-3-2-4-6-12)9-24-10-22-16-7-14(20)15(21)8-17(16)24/h2-8,10H,9H2,1H3
InChIKeyGQQBCXNKMHFWCZ-UHFFFAOYSA-N
XLogP4.51
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6-difluorobenzimidazole?
The IUPAC name of 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6-difluorobenzimidazole (CID 78881099) is 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6-difluorobenzimidazole.
What is the SMILES notation for 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6-difluorobenzimidazole?
The canonical SMILES for 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6-difluorobenzimidazole is Cc1nn(-c2ccccc2)c(Cl)c1Cn1cnc2cc(F)c(F)cc21.
What is the InChIKey of 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6-difluorobenzimidazole?
The InChIKey is GQQBCXNKMHFWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N4/c1-11-13(18(19)25(23-11)12-5-3-2-4-6-12)9-24-10-22-16-7-14(20)15(21)8-17(16)24/h2-8,10H,9H2,1H3.
What are the key properties of 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6-difluorobenzimidazole?
1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6-difluorobenzimidazole has a molecular weight of 358.78 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6-difluorobenzimidazole is sourced from PubChem (CID 78881099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).