1-methylbenzimidazole;morpholine

C12H17N3O — CID 178060017

IUPAC1-methylbenzimidazole;morpholine
SMILESC1COCCN1.Cn1cnc2ccccc21
InChIInChI=1S/C8H8N2.C4H9NO/c1-10-6-9-7-4-2-3-5-8(7)10;1-3-6-4-2-5-1/h2-6H,1H3;5H,1-4H2
InChIKeyOAGCVFJZNHKVHR-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.18
Rot. Bonds

About 1-methylbenzimidazole;morpholine

1-methylbenzimidazole;morpholine (PubChem CID 178060017) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-methylbenzimidazole;morpholine.

Molecular Properties

Compound Name1-methylbenzimidazole;morpholine
PubChem CID178060017
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-methylbenzimidazole;morpholine
SMILESC1COCCN1.Cn1cnc2ccccc21
InChIInChI=1S/C8H8N2.C4H9NO/c1-10-6-9-7-4-2-3-5-8(7)10;1-3-6-4-2-5-1/h2-6H,1H3;5H,1-4H2
InChIKeyOAGCVFJZNHKVHR-UHFFFAOYSA-N
XLogP1.18
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-methylbenzimidazole;4-[(3,4,5-trifluorophenyl)methyl]morpholine
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(1-methylbenzimidazol-5-yl)-morpholin-2-ylmethanamine
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Frequently Asked Questions

What is the IUPAC name of 1-methylbenzimidazole;morpholine?
The IUPAC name of 1-methylbenzimidazole;morpholine (CID 178060017) is 1-methylbenzimidazole;morpholine.
What is the SMILES notation for 1-methylbenzimidazole;morpholine?
The canonical SMILES for 1-methylbenzimidazole;morpholine is C1COCCN1.Cn1cnc2ccccc21.
What is the InChIKey of 1-methylbenzimidazole;morpholine?
The InChIKey is OAGCVFJZNHKVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.C4H9NO/c1-10-6-9-7-4-2-3-5-8(7)10;1-3-6-4-2-5-1/h2-6H,1H3;5H,1-4H2.
What are the key properties of 1-methylbenzimidazole;morpholine?
1-methylbenzimidazole;morpholine has a molecular weight of 219.29 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylbenzimidazole;morpholine is sourced from PubChem (CID 178060017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).