2-[(1,5-dimethylbenzimidazol-2-yl)methyl]morpholine

C14H19N3O — CID 66420976

IUPAC2-[(1,5-dimethylbenzimidazol-2-yl)methyl]morpholine
SMILESCc1ccc2c(c1)nc(CC1CNCCO1)n2C
InChIInChI=1S/C14H19N3O/c1-10-3-4-13-12(7-10)16-14(17(13)2)8-11-9-15-5-6-18-11/h3-4,7,11,15H,5-6,8-9H2,1-2H3
InChIKeyQDTQQKSLJZRLEG-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.41
Rot. Bonds2

About 2-[(1,5-dimethylbenzimidazol-2-yl)methyl]morpholine

2-[(1,5-dimethylbenzimidazol-2-yl)methyl]morpholine (PubChem CID 66420976) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[(1,5-dimethylbenzimidazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(1,5-dimethylbenzimidazol-2-yl)methyl]morpholine
PubChem CID66420976
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[(1,5-dimethylbenzimidazol-2-yl)methyl]morpholine
SMILESCc1ccc2c(c1)nc(CC1CNCCO1)n2C
InChIInChI=1S/C14H19N3O/c1-10-3-4-13-12(7-10)16-14(17(13)2)8-11-9-15-5-6-18-11/h3-4,7,11,15H,5-6,8-9H2,1-2H3
InChIKeyQDTQQKSLJZRLEG-UHFFFAOYSA-N
XLogP1.41
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylbenzimidazol-2-yl)methyl]morpholine?
The IUPAC name of 2-[(1,5-dimethylbenzimidazol-2-yl)methyl]morpholine (CID 66420976) is 2-[(1,5-dimethylbenzimidazol-2-yl)methyl]morpholine.
What is the SMILES notation for 2-[(1,5-dimethylbenzimidazol-2-yl)methyl]morpholine?
The canonical SMILES for 2-[(1,5-dimethylbenzimidazol-2-yl)methyl]morpholine is Cc1ccc2c(c1)nc(CC1CNCCO1)n2C.
What is the InChIKey of 2-[(1,5-dimethylbenzimidazol-2-yl)methyl]morpholine?
The InChIKey is QDTQQKSLJZRLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-3-4-13-12(7-10)16-14(17(13)2)8-11-9-15-5-6-18-11/h3-4,7,11,15H,5-6,8-9H2,1-2H3.
What are the key properties of 2-[(1,5-dimethylbenzimidazol-2-yl)methyl]morpholine?
2-[(1,5-dimethylbenzimidazol-2-yl)methyl]morpholine has a molecular weight of 245.33 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylbenzimidazol-2-yl)methyl]morpholine is sourced from PubChem (CID 66420976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).