3H-benzimidazol-5-yl-(2,5-dimethylmorpholin-4-yl)methanone

C14H17N3O2 — CID 43420928

IUPAC3H-benzimidazol-5-yl-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc3nc[nH]c3c2)C(C)CO1
InChIInChI=1S/C14H17N3O2/c1-9-7-19-10(2)6-17(9)14(18)11-3-4-12-13(5-11)16-8-15-12/h3-5,8-10H,6-7H2,1-2H3,(H,15,16)
InChIKeyHWKJMAIQABQNOQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.81
Rot. Bonds1

About 3H-benzimidazol-5-yl-(2,5-dimethylmorpholin-4-yl)methanone

3H-benzimidazol-5-yl-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 43420928) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID43420928
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3H-benzimidazol-5-yl-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc3nc[nH]c3c2)C(C)CO1
InChIInChI=1S/C14H17N3O2/c1-9-7-19-10(2)6-17(9)14(18)11-3-4-12-13(5-11)16-8-15-12/h3-5,8-10H,6-7H2,1-2H3,(H,15,16)
InChIKeyHWKJMAIQABQNOQ-UHFFFAOYSA-N
XLogP1.81
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 18847477
(3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43420926
(2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone
CID 47163087
3H-benzimidazol-5-yl-(3,4-dimethylpiperazin-1-yl)methanone
CID 63605111
(2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone
CID 110727642
(2,5-dimethylmorpholin-4-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 51077388
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-2-carboxamide
CID 43582965
1-(3H-benzimidazole-5-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114421792
[3-(difluoromethoxy)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone
CID 51077390
3H-benzimidazol-5-yl-(2-methylthiomorpholin-4-yl)methanone
CID 115612080
3H-benzimidazol-5-yl-[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 136588239
3H-benzimidazol-5-yl-[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone
CID 95629049

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of 3H-benzimidazol-5-yl-(2,5-dimethylmorpholin-4-yl)methanone (CID 43420928) is 3H-benzimidazol-5-yl-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-(2,5-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2ccc3nc[nH]c3c2)C(C)CO1.
What is the InChIKey of 3H-benzimidazol-5-yl-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is HWKJMAIQABQNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-7-19-10(2)6-17(9)14(18)11-3-4-12-13(5-11)16-8-15-12/h3-5,8-10H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 3H-benzimidazol-5-yl-(2,5-dimethylmorpholin-4-yl)methanone?
3H-benzimidazol-5-yl-(2,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 259.31 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 43420928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).