3-cyclopropyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione

C23H23FN4O2 — CID 10158244

IUPAC3-cyclopropyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione
SMILESO=c1c2ccccc2n(Cc2nc3ccccc3n2CCCCF)c(=O)n1C1CC1
InChIInChI=1S/C23H23FN4O2/c24-13-5-6-14-26-20-10-4-2-8-18(20)25-21(26)15-27-19-9-3-1-7-17(19)22(29)28(23(27)30)16-11-12-16/h1-4,7-10,16H,5-6,11-15H2
InChIKeyMKMQLIPBEXLFHM-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.65
Rot. Bonds7

About 3-cyclopropyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione

3-cyclopropyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione (PubChem CID 10158244) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 3-cyclopropyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione
PubChem CID10158244
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name3-cyclopropyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione
SMILESO=c1c2ccccc2n(Cc2nc3ccccc3n2CCCCF)c(=O)n1C1CC1
InChIInChI=1S/C23H23FN4O2/c24-13-5-6-14-26-20-10-4-2-8-18(20)25-21(26)15-27-19-9-3-1-7-17(19)22(29)28(23(27)30)16-11-12-16/h1-4,7-10,16H,5-6,11-15H2
InChIKeyMKMQLIPBEXLFHM-UHFFFAOYSA-N
XLogP3.65
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

AG-14361
CID 9840076
2-(1-acetylpiperidin-4-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 9925900
4-[(2-cyclopropyl-1H-1,3-benzodiazol-1-yl)methyl]-N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]benzamide
CID 10223774
N-[2-benzamido-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-N-methylbenzamide
CID 25190503
2-(1-propylpiperidin-2-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 25190747
2-{2-fluoro-4-[(2S)-piperidin-2-yl]phenyl}-1H-benzimidazole-7-carboxamide
CID 46173035
[3-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-phenyl-methanone
CID 9800173
5-Benzoyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-4,5-dihydroimidazo[1,5-a]quinoxaline
CID 10431153
[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-phenylmethanone
CID 14975957
6-Fluoro-2-(4-piperidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide
CID 16666250
(S)-1,3''-bipyrrolidin-1''-yl(4-((2-methyl-1H-benzo[d]imidazol-1-yl)methyl)phenyl)methanone
CID 25031073
4-Amino-3-{6-[(4-methylpiperazinyl)carbonyl]benzimidazol-2-yl}hydroquinolin-2-one
CID 135674144

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione?
The IUPAC name of 3-cyclopropyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione (CID 10158244) is 3-cyclopropyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-cyclopropyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione?
The canonical SMILES for 3-cyclopropyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione is O=c1c2ccccc2n(Cc2nc3ccccc3n2CCCCF)c(=O)n1C1CC1.
What is the InChIKey of 3-cyclopropyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione?
The InChIKey is MKMQLIPBEXLFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c24-13-5-6-14-26-20-10-4-2-8-18(20)25-21(26)15-27-19-9-3-1-7-17(19)22(29)28(23(27)30)16-11-12-16/h1-4,7-10,16H,5-6,11-15H2.
What are the key properties of 3-cyclopropyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione?
3-cyclopropyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione has a molecular weight of 406.46 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione is sourced from PubChem (CID 10158244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).