4-fluoro-N-[6-(methoxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide

C26H31FN4O3 — CID 56650026

IUPAC4-fluoro-N-[6-(methoxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide
SMILESCOCc1ccc2nc(NC(=O)c3ccc(F)cc3)n(C3CCC(C(=O)NC(C)C)CC3)c2c1
InChIInChI=1S/C26H31FN4O3/c1-16(2)28-24(32)19-7-11-21(12-8-19)31-23-14-17(15-34-3)4-13-22(23)29-26(31)30-25(33)18-5-9-20(27)10-6-18/h4-6,9-10,13-14,16,19,21H,7-8,11-12,15H2,1-3H3,(H,28,32)(H,29,30,33)
InChIKeyDPZFBTSEPDWOSF-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.83
Rot. Bonds7

About 4-fluoro-N-[6-(methoxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide

4-fluoro-N-[6-(methoxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide (PubChem CID 56650026) has the molecular formula C26H31FN4O3 and a molecular weight of 466.56 g/mol. Its IUPAC name is 4-fluoro-N-[6-(methoxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[6-(methoxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide
PubChem CID56650026
Molecular FormulaC26H31FN4O3
Molecular Weight466.56 g/mol
Exact Mass466.24
IUPAC Name4-fluoro-N-[6-(methoxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide
SMILESCOCc1ccc2nc(NC(=O)c3ccc(F)cc3)n(C3CCC(C(=O)NC(C)C)CC3)c2c1
InChIInChI=1S/C26H31FN4O3/c1-16(2)28-24(32)19-7-11-21(12-8-19)31-23-14-17(15-34-3)4-13-22(23)29-26(31)30-25(33)18-5-9-20(27)10-6-18/h4-6,9-10,13-14,16,19,21H,7-8,11-12,15H2,1-3H3,(H,28,32)(H,29,30,33)
InChIKeyDPZFBTSEPDWOSF-UHFFFAOYSA-N
XLogP4.83
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-(methoxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[6-(methoxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide (CID 56650026) is 4-fluoro-N-[6-(methoxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[6-(methoxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[6-(methoxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide is COCc1ccc2nc(NC(=O)c3ccc(F)cc3)n(C3CCC(C(=O)NC(C)C)CC3)c2c1.
What is the InChIKey of 4-fluoro-N-[6-(methoxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide?
The InChIKey is DPZFBTSEPDWOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O3/c1-16(2)28-24(32)19-7-11-21(12-8-19)31-23-14-17(15-34-3)4-13-22(23)29-26(31)30-25(33)18-5-9-20(27)10-6-18/h4-6,9-10,13-14,16,19,21H,7-8,11-12,15H2,1-3H3,(H,28,32)(H,29,30,33).
What are the key properties of 4-fluoro-N-[6-(methoxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide?
4-fluoro-N-[6-(methoxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide has a molecular weight of 466.56 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-(methoxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide is sourced from PubChem (CID 56650026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).