1,3,3-trimethyl-6-(2-pyridin-4-yl-1H-imidazol-5-yl)indol-2-one

C19H18N4O — CID 118526116

IUPAC1,3,3-trimethyl-6-(2-pyridin-4-yl-1H-imidazol-5-yl)indol-2-one
SMILESCN1C(=O)C(C)(C)c2ccc(-c3cnc(-c4ccncc4)[nH]3)cc21
InChIInChI=1S/C19H18N4O/c1-19(2)14-5-4-13(10-16(14)23(3)18(19)24)15-11-21-17(22-15)12-6-8-20-9-7-12/h4-11H,1-3H3,(H,21,22)
InChIKeyCDGMOROQPLSTPW-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.39
Rot. Bonds2

About 1,3,3-trimethyl-6-(2-pyridin-4-yl-1H-imidazol-5-yl)indol-2-one

1,3,3-trimethyl-6-(2-pyridin-4-yl-1H-imidazol-5-yl)indol-2-one (PubChem CID 118526116) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 1,3,3-trimethyl-6-(2-pyridin-4-yl-1H-imidazol-5-yl)indol-2-one.

Molecular Properties

Compound Name1,3,3-trimethyl-6-(2-pyridin-4-yl-1H-imidazol-5-yl)indol-2-one
PubChem CID118526116
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name1,3,3-trimethyl-6-(2-pyridin-4-yl-1H-imidazol-5-yl)indol-2-one
SMILESCN1C(=O)C(C)(C)c2ccc(-c3cnc(-c4ccncc4)[nH]3)cc21
InChIInChI=1S/C19H18N4O/c1-19(2)14-5-4-13(10-16(14)23(3)18(19)24)15-11-21-17(22-15)12-6-8-20-9-7-12/h4-11H,1-3H3,(H,21,22)
InChIKeyCDGMOROQPLSTPW-UHFFFAOYSA-N
XLogP3.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Zolpidem
CID 5732
Alosetron
CID 2099
Alosetron Hydrochloride
CID 60758
Roquefortine
CID 21608802
Fabesetron
CID 208947
Xl-999
CID 10433653
Roquefortine D
CID 15386782
3-(1H-imidazol-5-ylmethylene)-1,3-dihydro-2H-indol-2-one
CID 5714572
Adibendan
CID 65867
Ac-His-DPhe-Arg-Trp-NH2
CID 11093672
3-[(Z)-(2-ethyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one
CID 5714570
Histidyltryptophyldiketopiperazine
CID 24066854

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-6-(2-pyridin-4-yl-1H-imidazol-5-yl)indol-2-one?
The IUPAC name of 1,3,3-trimethyl-6-(2-pyridin-4-yl-1H-imidazol-5-yl)indol-2-one (CID 118526116) is 1,3,3-trimethyl-6-(2-pyridin-4-yl-1H-imidazol-5-yl)indol-2-one.
What is the SMILES notation for 1,3,3-trimethyl-6-(2-pyridin-4-yl-1H-imidazol-5-yl)indol-2-one?
The canonical SMILES for 1,3,3-trimethyl-6-(2-pyridin-4-yl-1H-imidazol-5-yl)indol-2-one is CN1C(=O)C(C)(C)c2ccc(-c3cnc(-c4ccncc4)[nH]3)cc21.
What is the InChIKey of 1,3,3-trimethyl-6-(2-pyridin-4-yl-1H-imidazol-5-yl)indol-2-one?
The InChIKey is CDGMOROQPLSTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-19(2)14-5-4-13(10-16(14)23(3)18(19)24)15-11-21-17(22-15)12-6-8-20-9-7-12/h4-11H,1-3H3,(H,21,22).
What are the key properties of 1,3,3-trimethyl-6-(2-pyridin-4-yl-1H-imidazol-5-yl)indol-2-one?
1,3,3-trimethyl-6-(2-pyridin-4-yl-1H-imidazol-5-yl)indol-2-one has a molecular weight of 318.38 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-6-(2-pyridin-4-yl-1H-imidazol-5-yl)indol-2-one is sourced from PubChem (CID 118526116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).