N-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide

C26H32FN3O4 — CID 122498112

IUPACN-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCC(Oc2nc3ccc(OCc4ccccc4)c(F)c3n2C)CC1
InChIInChI=1S/C26H32FN3O4/c1-17(28-18(2)31)15-32-20-9-11-21(12-10-20)34-26-29-22-13-14-23(24(27)25(22)30(26)3)33-16-19-7-5-4-6-8-19/h4-8,13-14,17,20-21H,9-12,15-16H2,1-3H3,(H,28,31)/t17-,20?,21?/m0/s1
InChIKeyHPZCXJDJMZDYTC-RPCJCACASA-N
MW469.56 g/mol
LogP4.52
Rot. Bonds9

About N-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide

N-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide (PubChem CID 122498112) has the molecular formula C26H32FN3O4 and a molecular weight of 469.56 g/mol. Its IUPAC name is N-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
PubChem CID122498112
Molecular FormulaC26H32FN3O4
Molecular Weight469.56 g/mol
Exact Mass469.24
IUPAC NameN-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCC(Oc2nc3ccc(OCc4ccccc4)c(F)c3n2C)CC1
InChIInChI=1S/C26H32FN3O4/c1-17(28-18(2)31)15-32-20-9-11-21(12-10-20)34-26-29-22-13-14-23(24(27)25(22)30(26)3)33-16-19-7-5-4-6-8-19/h4-8,13-14,17,20-21H,9-12,15-16H2,1-3H3,(H,28,31)/t17-,20?,21?/m0/s1
InChIKeyHPZCXJDJMZDYTC-RPCJCACASA-N
XLogP4.52
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide (CID 122498112) is N-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COC1CCC(Oc2nc3ccc(OCc4ccccc4)c(F)c3n2C)CC1.
What is the InChIKey of N-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide?
The InChIKey is HPZCXJDJMZDYTC-RPCJCACASA-N. The full InChI is InChI=1S/C26H32FN3O4/c1-17(28-18(2)31)15-32-20-9-11-21(12-10-20)34-26-29-22-13-14-23(24(27)25(22)30(26)3)33-16-19-7-5-4-6-8-19/h4-8,13-14,17,20-21H,9-12,15-16H2,1-3H3,(H,28,31)/t17-,20?,21?/m0/s1.
What are the key properties of N-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide has a molecular weight of 469.56 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(7-fluoro-1-methyl-6-phenylmethoxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122498112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).