5-[4-(2,6-dimethylmorpholin-4-yl)anilino]-1-ethyl-3-methylbenzimidazol-2-one

C22H28N4O2 — CID 175556001

IUPAC5-[4-(2,6-dimethylmorpholin-4-yl)anilino]-1-ethyl-3-methylbenzimidazol-2-one
SMILESCCn1c(=O)n(C)c2cc(Nc3ccc(N4CC(C)OC(C)C4)cc3)ccc21
InChIInChI=1S/C22H28N4O2/c1-5-26-20-11-8-18(12-21(20)24(4)22(26)27)23-17-6-9-19(10-7-17)25-13-15(2)28-16(3)14-25/h6-12,15-16,23H,5,13-14H2,1-4H3
InChIKeyWJZUKRSKUGVRNY-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.72
Rot. Bonds4

About 5-[4-(2,6-dimethylmorpholin-4-yl)anilino]-1-ethyl-3-methylbenzimidazol-2-one

5-[4-(2,6-dimethylmorpholin-4-yl)anilino]-1-ethyl-3-methylbenzimidazol-2-one (PubChem CID 175556001) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 5-[4-(2,6-dimethylmorpholin-4-yl)anilino]-1-ethyl-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-(2,6-dimethylmorpholin-4-yl)anilino]-1-ethyl-3-methylbenzimidazol-2-one
PubChem CID175556001
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name5-[4-(2,6-dimethylmorpholin-4-yl)anilino]-1-ethyl-3-methylbenzimidazol-2-one
SMILESCCn1c(=O)n(C)c2cc(Nc3ccc(N4CC(C)OC(C)C4)cc3)ccc21
InChIInChI=1S/C22H28N4O2/c1-5-26-20-11-8-18(12-21(20)24(4)22(26)27)23-17-6-9-19(10-7-17)25-13-15(2)28-16(3)14-25/h6-12,15-16,23H,5,13-14H2,1-4H3
InChIKeyWJZUKRSKUGVRNY-UHFFFAOYSA-N
XLogP3.72
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,6-dimethylmorpholin-4-yl)anilino]-1-ethyl-3-methylbenzimidazol-2-one?
The IUPAC name of 5-[4-(2,6-dimethylmorpholin-4-yl)anilino]-1-ethyl-3-methylbenzimidazol-2-one (CID 175556001) is 5-[4-(2,6-dimethylmorpholin-4-yl)anilino]-1-ethyl-3-methylbenzimidazol-2-one.
What is the SMILES notation for 5-[4-(2,6-dimethylmorpholin-4-yl)anilino]-1-ethyl-3-methylbenzimidazol-2-one?
The canonical SMILES for 5-[4-(2,6-dimethylmorpholin-4-yl)anilino]-1-ethyl-3-methylbenzimidazol-2-one is CCn1c(=O)n(C)c2cc(Nc3ccc(N4CC(C)OC(C)C4)cc3)ccc21.
What is the InChIKey of 5-[4-(2,6-dimethylmorpholin-4-yl)anilino]-1-ethyl-3-methylbenzimidazol-2-one?
The InChIKey is WJZUKRSKUGVRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-5-26-20-11-8-18(12-21(20)24(4)22(26)27)23-17-6-9-19(10-7-17)25-13-15(2)28-16(3)14-25/h6-12,15-16,23H,5,13-14H2,1-4H3.
What are the key properties of 5-[4-(2,6-dimethylmorpholin-4-yl)anilino]-1-ethyl-3-methylbenzimidazol-2-one?
5-[4-(2,6-dimethylmorpholin-4-yl)anilino]-1-ethyl-3-methylbenzimidazol-2-one has a molecular weight of 380.49 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,6-dimethylmorpholin-4-yl)anilino]-1-ethyl-3-methylbenzimidazol-2-one is sourced from PubChem (CID 175556001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).