1-(2-methyl-3H-benzimidazol-5-yl)-2-morpholin-3-ylethanone

C14H17N3O2 — CID 116919914

IUPAC1-(2-methyl-3H-benzimidazol-5-yl)-2-morpholin-3-ylethanone
SMILESCc1nc2ccc(C(=O)CC3COCCN3)cc2[nH]1
InChIInChI=1S/C14H17N3O2/c1-9-16-12-3-2-10(6-13(12)17-9)14(18)7-11-8-19-5-4-15-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyLYMPASLFHYNASZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.43
Rot. Bonds3

About 1-(2-methyl-3H-benzimidazol-5-yl)-2-morpholin-3-ylethanone

1-(2-methyl-3H-benzimidazol-5-yl)-2-morpholin-3-ylethanone (PubChem CID 116919914) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(2-methyl-3H-benzimidazol-5-yl)-2-morpholin-3-ylethanone.

Molecular Properties

Compound Name1-(2-methyl-3H-benzimidazol-5-yl)-2-morpholin-3-ylethanone
PubChem CID116919914
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(2-methyl-3H-benzimidazol-5-yl)-2-morpholin-3-ylethanone
SMILESCc1nc2ccc(C(=O)CC3COCCN3)cc2[nH]1
InChIInChI=1S/C14H17N3O2/c1-9-16-12-3-2-10(6-13(12)17-9)14(18)7-11-8-19-5-4-15-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyLYMPASLFHYNASZ-UHFFFAOYSA-N
XLogP1.43
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3H-benzimidazol-5-yl)-2-morpholin-3-ylethanone?
The IUPAC name of 1-(2-methyl-3H-benzimidazol-5-yl)-2-morpholin-3-ylethanone (CID 116919914) is 1-(2-methyl-3H-benzimidazol-5-yl)-2-morpholin-3-ylethanone.
What is the SMILES notation for 1-(2-methyl-3H-benzimidazol-5-yl)-2-morpholin-3-ylethanone?
The canonical SMILES for 1-(2-methyl-3H-benzimidazol-5-yl)-2-morpholin-3-ylethanone is Cc1nc2ccc(C(=O)CC3COCCN3)cc2[nH]1.
What is the InChIKey of 1-(2-methyl-3H-benzimidazol-5-yl)-2-morpholin-3-ylethanone?
The InChIKey is LYMPASLFHYNASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-16-12-3-2-10(6-13(12)17-9)14(18)7-11-8-19-5-4-15-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17).
What are the key properties of 1-(2-methyl-3H-benzimidazol-5-yl)-2-morpholin-3-ylethanone?
1-(2-methyl-3H-benzimidazol-5-yl)-2-morpholin-3-ylethanone has a molecular weight of 259.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3H-benzimidazol-5-yl)-2-morpholin-3-ylethanone is sourced from PubChem (CID 116919914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).