(2,3-dimethyl-1H-indol-5-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone

C19H22N4O2 — CID 110105547

IUPAC(2,3-dimethyl-1H-indol-5-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
SMILESCc1cnc(C2COCCN2C(=O)c2ccc3[nH]c(C)c(C)c3c2)[nH]1
InChIInChI=1S/C19H22N4O2/c1-11-9-20-18(21-11)17-10-25-7-6-23(17)19(24)14-4-5-16-15(8-14)12(2)13(3)22-16/h4-5,8-9,17,22H,6-7,10H2,1-3H3,(H,20,21)
InChIKeyHMQXOVXFBZAGNX-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.03
Rot. Bonds2

About (2,3-dimethyl-1H-indol-5-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone

(2,3-dimethyl-1H-indol-5-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone (PubChem CID 110105547) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2,3-dimethyl-1H-indol-5-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethyl-1H-indol-5-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
PubChem CID110105547
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(2,3-dimethyl-1H-indol-5-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
SMILESCc1cnc(C2COCCN2C(=O)c2ccc3[nH]c(C)c(C)c3c2)[nH]1
InChIInChI=1S/C19H22N4O2/c1-11-9-20-18(21-11)17-10-25-7-6-23(17)19(24)14-4-5-16-15(8-14)12(2)13(3)22-16/h4-5,8-9,17,22H,6-7,10H2,1-3H3,(H,20,21)
InChIKeyHMQXOVXFBZAGNX-UHFFFAOYSA-N
XLogP3.03
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2-methyl-3H-benzimidazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 124959074
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone
CID 124996414
(3,5-difluorophenyl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105429
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 125017180
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125006215
[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone
CID 110105457
6-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione
CID 125005017
(5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105506
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129491728
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone
CID 125016255
[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 110105482
1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 124983270

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone (CID 110105547) is (2,3-dimethyl-1H-indol-5-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (2,3-dimethyl-1H-indol-5-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (2,3-dimethyl-1H-indol-5-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone is Cc1cnc(C2COCCN2C(=O)c2ccc3[nH]c(C)c(C)c3c2)[nH]1.
What is the InChIKey of (2,3-dimethyl-1H-indol-5-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is HMQXOVXFBZAGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-11-9-20-18(21-11)17-10-25-7-6-23(17)19(24)14-4-5-16-15(8-14)12(2)13(3)22-16/h4-5,8-9,17,22H,6-7,10H2,1-3H3,(H,20,21).
What are the key properties of (2,3-dimethyl-1H-indol-5-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
(2,3-dimethyl-1H-indol-5-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 338.41 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1H-indol-5-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 110105547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).