3-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-6-phenoxy-1H-quinazoline-2,4-dione

C29H22N4O3 — CID 166357701

IUPAC3-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-6-phenoxy-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccc(Oc3ccccc3)cc2c(=O)n1Cc1cccc(Cn2cnc3ccccc32)c1
InChIInChI=1S/C29H22N4O3/c34-28-24-16-23(36-22-9-2-1-3-10-22)13-14-25(24)31-29(35)33(28)18-21-8-6-7-20(15-21)17-32-19-30-26-11-4-5-12-27(26)32/h1-16,19H,17-18H2,(H,31,35)
InChIKeyQZBNXWRHDGGCEH-UHFFFAOYSA-N
MW474.52 g/mol
LogP4.93
Rot. Bonds6

About 3-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-6-phenoxy-1H-quinazoline-2,4-dione

3-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-6-phenoxy-1H-quinazoline-2,4-dione (PubChem CID 166357701) has the molecular formula C29H22N4O3 and a molecular weight of 474.52 g/mol. Its IUPAC name is 3-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-6-phenoxy-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-6-phenoxy-1H-quinazoline-2,4-dione
PubChem CID166357701
Molecular FormulaC29H22N4O3
Molecular Weight474.52 g/mol
Exact Mass474.17
IUPAC Name3-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-6-phenoxy-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccc(Oc3ccccc3)cc2c(=O)n1Cc1cccc(Cn2cnc3ccccc32)c1
InChIInChI=1S/C29H22N4O3/c34-28-24-16-23(36-22-9-2-1-3-10-22)13-14-25(24)31-29(35)33(28)18-21-8-6-7-20(15-21)17-32-19-30-26-11-4-5-12-27(26)32/h1-16,19H,17-18H2,(H,31,35)
InChIKeyQZBNXWRHDGGCEH-UHFFFAOYSA-N
XLogP4.93
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-6-phenoxy-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

3-benzyl-6-phenoxy-1H-benzimidazol-2-one
CID 10335905
1-[(3-phenylphenyl)methyl]benzimidazole
CID 53320325
3-chloro-N-[3-[(2,4-dioxo-6-pyrimidin-2-yloxy-1H-quinazolin-3-yl)methyl]phenyl]propanamide
CID 155807713
2-[3-(benzimidazol-1-ylmethyl)phenoxy]ethanol;ethane
CID 142063366
1-(3,5-dimethoxyphenyl)-3-[3-[(2,4-dioxo-6-pyrimidin-2-yloxy-1H-quinazolin-3-yl)methyl]phenyl]urea
CID 155812392
3-[(3-bromophenyl)methyl]-6-fluoro-1H-quinazoline-2,4-dione
CID 112707458
3-[[3-(4-fluorophenoxy)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinazolin-4-one
CID 155594129
oxalic acid;1-[3-(3-phenoxyphenoxy)propyl]benzimidazole
CID 2965935
4-amino-1-[[3-[4-(methylaminomethyl)phenoxy]phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one
CID 164596708
3-[3-(benzimidazol-1-ylmethyl)phenyl]prop-2-enoic acid
CID 76908174
N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 155516452
3-[(3-phenylphenyl)methyl]quinazolin-4-one
CID 121275766

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-6-phenoxy-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-6-phenoxy-1H-quinazoline-2,4-dione (CID 166357701) is 3-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-6-phenoxy-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-6-phenoxy-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-6-phenoxy-1H-quinazoline-2,4-dione is O=c1[nH]c2ccc(Oc3ccccc3)cc2c(=O)n1Cc1cccc(Cn2cnc3ccccc32)c1.
What is the InChIKey of 3-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-6-phenoxy-1H-quinazoline-2,4-dione?
The InChIKey is QZBNXWRHDGGCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N4O3/c34-28-24-16-23(36-22-9-2-1-3-10-22)13-14-25(24)31-29(35)33(28)18-21-8-6-7-20(15-21)17-32-19-30-26-11-4-5-12-27(26)32/h1-16,19H,17-18H2,(H,31,35).
What are the key properties of 3-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-6-phenoxy-1H-quinazoline-2,4-dione?
3-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-6-phenoxy-1H-quinazoline-2,4-dione has a molecular weight of 474.52 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-6-phenoxy-1H-quinazoline-2,4-dione is sourced from PubChem (CID 166357701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).