1,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-one

C22H29N3O2 — CID 91530697

IUPAC1,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-one
SMILESCCCCCOc1cc(C)nc2c1n(C)c(=O)n2-c1c(C)cc(C)cc1C
InChIInChI=1S/C22H29N3O2/c1-7-8-9-10-27-18-13-17(5)23-21-20(18)24(6)22(26)25(21)19-15(3)11-14(2)12-16(19)4/h11-13H,7-10H2,1-6H3
InChIKeyOIXJIIMWURIPBJ-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.53
Rot. Bonds6

About 1,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-one

1,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-one (PubChem CID 91530697) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-one
PubChem CID91530697
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-one
SMILESCCCCCOc1cc(C)nc2c1n(C)c(=O)n2-c1c(C)cc(C)cc1C
InChIInChI=1S/C22H29N3O2/c1-7-8-9-10-27-18-13-17(5)23-21-20(18)24(6)22(26)25(21)19-15(3)11-14(2)12-16(19)4/h11-13H,7-10H2,1-6H3
InChIKeyOIXJIIMWURIPBJ-UHFFFAOYSA-N
XLogP4.53
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)furo[3,2-b]pyridine
CID 57305017
2,6-dimethyl-4-pentoxypyridine-3-carboxylic acid
CID 81053245
1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
ethane;2-hexoxy-1,3,5-trimethylbenzene
CID 143283157
5-methyl-1,2,3-tri(undecoxy)benzene
CID 91267120
4-(4-bromo-2,6-dimethylphenyl)-6-methyl-8-pentoxy-2,3-dihydro-1H-pyrido[2,3-b]pyrazine
CID 91261904
1,4-dimethyl-2-pentoxybenzene
CID 59184214
pentane;2,4,6-trimethylpyridine
CID 162753467
1,2,4,5-tetrakis-decoxybenzene
CID 10556791
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
hexyl 2,4,6-trimethylbenzenesulfonate
CID 71416672
N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 9178718

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-one (CID 91530697) is 1,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-one is CCCCCOc1cc(C)nc2c1n(C)c(=O)n2-c1c(C)cc(C)cc1C.
What is the InChIKey of 1,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-one?
The InChIKey is OIXJIIMWURIPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-7-8-9-10-27-18-13-17(5)23-21-20(18)24(6)22(26)25(21)19-15(3)11-14(2)12-16(19)4/h11-13H,7-10H2,1-6H3.
What are the key properties of 1,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-one?
1,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 367.49 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-7-pentoxy-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 91530697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).