3-(1H-benzimidazol-2-yl)-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione

C18H17N3O2 — CID 66497017

IUPAC3-(1H-benzimidazol-2-yl)-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
SMILESCC1(C)CC(=O)c2cc(-c3nc4ccccc4[nH]3)c(=O)[nH]c2C1
InChIInChI=1S/C18H17N3O2/c1-18(2)8-14-10(15(22)9-18)7-11(17(23)21-14)16-19-12-5-3-4-6-13(12)20-16/h3-7H,8-9H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyXTLGBPNUKLJBQP-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.07
Rot. Bonds1

About 3-(1H-benzimidazol-2-yl)-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione

3-(1H-benzimidazol-2-yl)-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione (PubChem CID 66497017) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
PubChem CID66497017
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3-(1H-benzimidazol-2-yl)-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
SMILESCC1(C)CC(=O)c2cc(-c3nc4ccccc4[nH]3)c(=O)[nH]c2C1
InChIInChI=1S/C18H17N3O2/c1-18(2)8-14-10(15(22)9-18)7-11(17(23)21-14)16-19-12-5-3-4-6-13(12)20-16/h3-7H,8-9H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyXTLGBPNUKLJBQP-UHFFFAOYSA-N
XLogP3.07
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1H-benzimidazol-2-yl)-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione with MolForge

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 22426418
5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one
CID 135834134
3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1H-quinolin-2-one
CID 147955054
3-(1H-benzimidazol-2-yl)-7-fluoro-6-iodo-1H-quinolin-2-one
CID 172707938
7,7-dimethyl-2,5-dioxo-N-(1-phenylbenzimidazol-2-yl)-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56565259
2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
2-(1,2-dimethyl-9H-fluoren-3-yl)-1H-benzimidazole
CID 151102364
3-(1H-benzimidazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-1H-quinolin-2-one
CID 142670740
N-[4-(benzimidazol-1-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56560006
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid
CID 84675035
2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 17010591

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione (CID 66497017) is 3-(1H-benzimidazol-2-yl)-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione is CC1(C)CC(=O)c2cc(-c3nc4ccccc4[nH]3)c(=O)[nH]c2C1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione?
The InChIKey is XTLGBPNUKLJBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-18(2)8-14-10(15(22)9-18)7-11(17(23)21-14)16-19-12-5-3-4-6-13(12)20-16/h3-7H,8-9H2,1-2H3,(H,19,20)(H,21,23).
What are the key properties of 3-(1H-benzimidazol-2-yl)-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione?
3-(1H-benzimidazol-2-yl)-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione has a molecular weight of 307.35 g/mol, XLogP of 3.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione is sourced from PubChem (CID 66497017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).