6-fluoro-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole-5-carboxamide

C19H16FN5O2 — CID 135857267

IUPAC6-fluoro-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole-5-carboxamide
SMILESCOc1c(-c2ccccc2)nn(C)c1-c1nc2cc(C(N)=O)c(F)cc2[nH]1
InChIInChI=1S/C19H16FN5O2/c1-25-16(17(27-2)15(24-25)10-6-4-3-5-7-10)19-22-13-8-11(18(21)26)12(20)9-14(13)23-19/h3-9H,1-2H3,(H2,21,26)(H,22,23)
InChIKeyIEJILDPHBSWULE-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.88
Rot. Bonds4

About 6-fluoro-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole-5-carboxamide

6-fluoro-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole-5-carboxamide (PubChem CID 135857267) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 6-fluoro-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole-5-carboxamide
PubChem CID135857267
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name6-fluoro-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole-5-carboxamide
SMILESCOc1c(-c2ccccc2)nn(C)c1-c1nc2cc(C(N)=O)c(F)cc2[nH]1
InChIInChI=1S/C19H16FN5O2/c1-25-16(17(27-2)15(24-25)10-6-4-3-5-7-10)19-22-13-8-11(18(21)26)12(20)9-14(13)23-19/h3-9H,1-2H3,(H2,21,26)(H,22,23)
InChIKeyIEJILDPHBSWULE-UHFFFAOYSA-N
XLogP2.88
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole-5-carboxamide?
The IUPAC name of 6-fluoro-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole-5-carboxamide (CID 135857267) is 6-fluoro-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for 6-fluoro-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole-5-carboxamide?
The canonical SMILES for 6-fluoro-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole-5-carboxamide is COc1c(-c2ccccc2)nn(C)c1-c1nc2cc(C(N)=O)c(F)cc2[nH]1.
What is the InChIKey of 6-fluoro-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole-5-carboxamide?
The InChIKey is IEJILDPHBSWULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-25-16(17(27-2)15(24-25)10-6-4-3-5-7-10)19-22-13-8-11(18(21)26)12(20)9-14(13)23-19/h3-9H,1-2H3,(H2,21,26)(H,22,23).
What are the key properties of 6-fluoro-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole-5-carboxamide?
6-fluoro-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole-5-carboxamide has a molecular weight of 365.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 135857267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).