N-[(1S)-1-[1-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]acetamide

C20H30N4O3 — CID 51126461

IUPACN-[(1S)-1-[1-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1nc2ccccc2n1CC(O)CN1CC(C)OC(C)C1
InChIInChI=1S/C20H30N4O3/c1-13-9-23(10-14(2)27-13)11-17(26)12-24-19-8-6-5-7-18(19)22-20(24)15(3)21-16(4)25/h5-8,13-15,17,26H,9-12H2,1-4H3,(H,21,25)/t13?,14?,15-,17?/m0/s1
InChIKeyGYMKUXRGEBUHNM-LETWWHAPSA-N
MW374.49 g/mol
LogP1.70
Rot. Bonds6

About N-[(1S)-1-[1-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]acetamide

N-[(1S)-1-[1-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 51126461) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[(1S)-1-[1-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]acetamide
PubChem CID51126461
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-[(1S)-1-[1-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1nc2ccccc2n1CC(O)CN1CC(C)OC(C)C1
InChIInChI=1S/C20H30N4O3/c1-13-9-23(10-14(2)27-13)11-17(26)12-24-19-8-6-5-7-18(19)22-20(24)15(3)21-16(4)25/h5-8,13-15,17,26H,9-12H2,1-4H3,(H,21,25)/t13?,14?,15-,17?/m0/s1
InChIKeyGYMKUXRGEBUHNM-LETWWHAPSA-N
XLogP1.70
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[1-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]acetamide (CID 51126461) is N-[(1S)-1-[1-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[1-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[1-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]acetamide is CC(=O)N[C@@H](C)c1nc2ccccc2n1CC(O)CN1CC(C)OC(C)C1.
What is the InChIKey of N-[(1S)-1-[1-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is GYMKUXRGEBUHNM-LETWWHAPSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-13-9-23(10-14(2)27-13)11-17(26)12-24-19-8-6-5-7-18(19)22-20(24)15(3)21-16(4)25/h5-8,13-15,17,26H,9-12H2,1-4H3,(H,21,25)/t13?,14?,15-,17?/m0/s1.
What are the key properties of N-[(1S)-1-[1-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]acetamide?
N-[(1S)-1-[1-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 374.49 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 51126461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).