2,2-dimethyl-6-(1-methylbenzimidazol-2-yl)morpholine

C14H19N3O — CID 65102327

IUPAC2,2-dimethyl-6-(1-methylbenzimidazol-2-yl)morpholine
SMILESCn1c(C2CNCC(C)(C)O2)nc2ccccc21
InChIInChI=1S/C14H19N3O/c1-14(2)9-15-8-12(18-14)13-16-10-6-4-5-7-11(10)17(13)3/h4-7,12,15H,8-9H2,1-3H3
InChIKeyVPTXLGIEKUTXPO-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.01
Rot. Bonds1

About 2,2-dimethyl-6-(1-methylbenzimidazol-2-yl)morpholine

2,2-dimethyl-6-(1-methylbenzimidazol-2-yl)morpholine (PubChem CID 65102327) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2,2-dimethyl-6-(1-methylbenzimidazol-2-yl)morpholine.

Molecular Properties

Compound Name2,2-dimethyl-6-(1-methylbenzimidazol-2-yl)morpholine
PubChem CID65102327
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2,2-dimethyl-6-(1-methylbenzimidazol-2-yl)morpholine
SMILESCn1c(C2CNCC(C)(C)O2)nc2ccccc21
InChIInChI=1S/C14H19N3O/c1-14(2)9-15-8-12(18-14)13-16-10-6-4-5-7-11(10)17(13)3/h4-7,12,15H,8-9H2,1-3H3
InChIKeyVPTXLGIEKUTXPO-UHFFFAOYSA-N
XLogP2.01
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(1-methylbenzimidazol-2-yl)morpholine?
The IUPAC name of 2,2-dimethyl-6-(1-methylbenzimidazol-2-yl)morpholine (CID 65102327) is 2,2-dimethyl-6-(1-methylbenzimidazol-2-yl)morpholine.
What is the SMILES notation for 2,2-dimethyl-6-(1-methylbenzimidazol-2-yl)morpholine?
The canonical SMILES for 2,2-dimethyl-6-(1-methylbenzimidazol-2-yl)morpholine is Cn1c(C2CNCC(C)(C)O2)nc2ccccc21.
What is the InChIKey of 2,2-dimethyl-6-(1-methylbenzimidazol-2-yl)morpholine?
The InChIKey is VPTXLGIEKUTXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2)9-15-8-12(18-14)13-16-10-6-4-5-7-11(10)17(13)3/h4-7,12,15H,8-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-(1-methylbenzimidazol-2-yl)morpholine?
2,2-dimethyl-6-(1-methylbenzimidazol-2-yl)morpholine has a molecular weight of 245.33 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(1-methylbenzimidazol-2-yl)morpholine is sourced from PubChem (CID 65102327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).