6-fluoro-N-[3-[[(3-hydroxy-2,2-dimethylpropanoyl)amino]methyl]cyclobutyl]-1H-benzimidazole-4-carboxamide

C18H23FN4O3 — CID 166380480

IUPAC6-fluoro-N-[3-[[(3-hydroxy-2,2-dimethylpropanoyl)amino]methyl]cyclobutyl]-1H-benzimidazole-4-carboxamide
SMILESCC(C)(CO)C(=O)NCC1CC(NC(=O)c2cc(F)cc3[nH]cnc23)C1
InChIInChI=1S/C18H23FN4O3/c1-18(2,8-24)17(26)20-7-10-3-12(4-10)23-16(25)13-5-11(19)6-14-15(13)22-9-21-14/h5-6,9-10,12,24H,3-4,7-8H2,1-2H3,(H,20,26)(H,21,22)(H,23,25)
InChIKeyHGORZAPMKWQODY-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.35
Rot. Bonds6

About 6-fluoro-N-[3-[[(3-hydroxy-2,2-dimethylpropanoyl)amino]methyl]cyclobutyl]-1H-benzimidazole-4-carboxamide

6-fluoro-N-[3-[[(3-hydroxy-2,2-dimethylpropanoyl)amino]methyl]cyclobutyl]-1H-benzimidazole-4-carboxamide (PubChem CID 166380480) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is 6-fluoro-N-[3-[[(3-hydroxy-2,2-dimethylpropanoyl)amino]methyl]cyclobutyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[3-[[(3-hydroxy-2,2-dimethylpropanoyl)amino]methyl]cyclobutyl]-1H-benzimidazole-4-carboxamide
PubChem CID166380480
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name6-fluoro-N-[3-[[(3-hydroxy-2,2-dimethylpropanoyl)amino]methyl]cyclobutyl]-1H-benzimidazole-4-carboxamide
SMILESCC(C)(CO)C(=O)NCC1CC(NC(=O)c2cc(F)cc3[nH]cnc23)C1
InChIInChI=1S/C18H23FN4O3/c1-18(2,8-24)17(26)20-7-10-3-12(4-10)23-16(25)13-5-11(19)6-14-15(13)22-9-21-14/h5-6,9-10,12,24H,3-4,7-8H2,1-2H3,(H,20,26)(H,21,22)(H,23,25)
InChIKeyHGORZAPMKWQODY-UHFFFAOYSA-N
XLogP1.35
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[3-[[(3-hydroxy-2,2-dimethylpropanoyl)amino]methyl]cyclobutyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-fluoro-N-[3-[[(3-hydroxy-2,2-dimethylpropanoyl)amino]methyl]cyclobutyl]-1H-benzimidazole-4-carboxamide (CID 166380480) is 6-fluoro-N-[3-[[(3-hydroxy-2,2-dimethylpropanoyl)amino]methyl]cyclobutyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-[3-[[(3-hydroxy-2,2-dimethylpropanoyl)amino]methyl]cyclobutyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-fluoro-N-[3-[[(3-hydroxy-2,2-dimethylpropanoyl)amino]methyl]cyclobutyl]-1H-benzimidazole-4-carboxamide is CC(C)(CO)C(=O)NCC1CC(NC(=O)c2cc(F)cc3[nH]cnc23)C1.
What is the InChIKey of 6-fluoro-N-[3-[[(3-hydroxy-2,2-dimethylpropanoyl)amino]methyl]cyclobutyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is HGORZAPMKWQODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-18(2,8-24)17(26)20-7-10-3-12(4-10)23-16(25)13-5-11(19)6-14-15(13)22-9-21-14/h5-6,9-10,12,24H,3-4,7-8H2,1-2H3,(H,20,26)(H,21,22)(H,23,25).
What are the key properties of 6-fluoro-N-[3-[[(3-hydroxy-2,2-dimethylpropanoyl)amino]methyl]cyclobutyl]-1H-benzimidazole-4-carboxamide?
6-fluoro-N-[3-[[(3-hydroxy-2,2-dimethylpropanoyl)amino]methyl]cyclobutyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 1.35, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[3-[[(3-hydroxy-2,2-dimethylpropanoyl)amino]methyl]cyclobutyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 166380480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).