6-fluoro-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-benzimidazole-5-carboxamide

C19H18FN7O2 — CID 154991692

IUPAC6-fluoro-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-benzimidazole-5-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc3[nH]c(=O)n(C)c3cc2F)n1
InChIInChI=1S/C19H18FN7O2/c1-10(2)27-9-21-25-17(27)13-5-4-6-16(22-13)24-18(28)11-7-14-15(8-12(11)20)26(3)19(29)23-14/h4-10H,1-3H3,(H,23,29)(H,22,24,28)
InChIKeyBYURUDKVAOOSMK-UHFFFAOYSA-N
MW395.40 g/mol
LogP2.49
Rot. Bonds4

About 6-fluoro-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-benzimidazole-5-carboxamide

6-fluoro-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-benzimidazole-5-carboxamide (PubChem CID 154991692) has the molecular formula C19H18FN7O2 and a molecular weight of 395.40 g/mol. Its IUPAC name is 6-fluoro-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name6-fluoro-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-benzimidazole-5-carboxamide
PubChem CID154991692
Molecular FormulaC19H18FN7O2
Molecular Weight395.40 g/mol
Exact Mass395.15
IUPAC Name6-fluoro-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-benzimidazole-5-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc3[nH]c(=O)n(C)c3cc2F)n1
InChIInChI=1S/C19H18FN7O2/c1-10(2)27-9-21-25-17(27)13-5-4-6-16(22-13)24-18(28)11-7-14-15(8-12(11)20)26(3)19(29)23-14/h4-10H,1-3H3,(H,23,29)(H,22,24,28)
InChIKeyBYURUDKVAOOSMK-UHFFFAOYSA-N
XLogP2.49
TPSA110.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 6-fluoro-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-benzimidazole-5-carboxamide (CID 154991692) is 6-fluoro-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 6-fluoro-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 6-fluoro-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-benzimidazole-5-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3[nH]c(=O)n(C)c3cc2F)n1.
What is the InChIKey of 6-fluoro-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is BYURUDKVAOOSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7O2/c1-10(2)27-9-21-25-17(27)13-5-4-6-16(22-13)24-18(28)11-7-14-15(8-12(11)20)26(3)19(29)23-14/h4-10H,1-3H3,(H,23,29)(H,22,24,28).
What are the key properties of 6-fluoro-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-benzimidazole-5-carboxamide?
6-fluoro-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 395.40 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 154991692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).