N-[(2S)-1-[4-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide

C22H33N3O4 — CID 122497786

IUPACN-[(2S)-1-[4-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCC(Oc2nc3cc(OC(C)C)ccc3n2C)CC1
InChIInChI=1S/C22H33N3O4/c1-14(2)28-19-10-11-21-20(12-19)24-22(25(21)5)29-18-8-6-17(7-9-18)27-13-15(3)23-16(4)26/h10-12,14-15,17-18H,6-9,13H2,1-5H3,(H,23,26)/t15-,17?,18?/m0/s1
InChIKeyXFFXSDZKYADYQR-ZLPCBKJTSA-N
MW403.52 g/mol
LogP3.59
Rot. Bonds8

About N-[(2S)-1-[4-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide

N-[(2S)-1-[4-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide (PubChem CID 122497786) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is N-[(2S)-1-[4-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
PubChem CID122497786
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC NameN-[(2S)-1-[4-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCC(Oc2nc3cc(OC(C)C)ccc3n2C)CC1
InChIInChI=1S/C22H33N3O4/c1-14(2)28-19-10-11-21-20(12-19)24-22(25(21)5)29-18-8-6-17(7-9-18)27-13-15(3)23-16(4)26/h10-12,14-15,17-18H,6-9,13H2,1-5H3,(H,23,26)/t15-,17?,18?/m0/s1
InChIKeyXFFXSDZKYADYQR-ZLPCBKJTSA-N
XLogP3.59
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 53.59
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-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide (CID 122497786) is N-[(2S)-1-[4-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[4-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COC1CCC(Oc2nc3cc(OC(C)C)ccc3n2C)CC1.
What is the InChIKey of N-[(2S)-1-[4-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide?
The InChIKey is XFFXSDZKYADYQR-ZLPCBKJTSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-14(2)28-19-10-11-21-20(12-19)24-22(25(21)5)29-18-8-6-17(7-9-18)27-13-15(3)23-16(4)26/h10-12,14-15,17-18H,6-9,13H2,1-5H3,(H,23,26)/t15-,17?,18?/m0/s1.
What are the key properties of N-[(2S)-1-[4-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[4-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide has a molecular weight of 403.52 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122497786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).