3-cyclopropyl-1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione

C26H30N4O2 — CID 20814053

IUPAC3-cyclopropyl-1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione
SMILESCCc1ccc2c(c1)nc(Cn1c(=O)n(C3CC3)c(=O)c3ccccc31)n2CCC(C)C
InChIInChI=1S/C26H30N4O2/c1-4-18-9-12-23-21(15-18)27-24(28(23)14-13-17(2)3)16-29-22-8-6-5-7-20(22)25(31)30(26(29)32)19-10-11-19/h5-9,12,15,17,19H,4,10-11,13-14,16H2,1-3H3
InChIKeyVZIHICJGJXQGPE-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.50
Rot. Bonds7

About 3-cyclopropyl-1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione

3-cyclopropyl-1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione (PubChem CID 20814053) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 3-cyclopropyl-1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione
PubChem CID20814053
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name3-cyclopropyl-1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione
SMILESCCc1ccc2c(c1)nc(Cn1c(=O)n(C3CC3)c(=O)c3ccccc31)n2CCC(C)C
InChIInChI=1S/C26H30N4O2/c1-4-18-9-12-23-21(15-18)27-24(28(23)14-13-17(2)3)16-29-22-8-6-5-7-20(22)25(31)30(26(29)32)19-10-11-19/h5-9,12,15,17,19H,4,10-11,13-14,16H2,1-3H3
InChIKeyVZIHICJGJXQGPE-UHFFFAOYSA-N
XLogP4.50
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione?
The IUPAC name of 3-cyclopropyl-1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione (CID 20814053) is 3-cyclopropyl-1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-cyclopropyl-1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione?
The canonical SMILES for 3-cyclopropyl-1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione is CCc1ccc2c(c1)nc(Cn1c(=O)n(C3CC3)c(=O)c3ccccc31)n2CCC(C)C.
What is the InChIKey of 3-cyclopropyl-1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione?
The InChIKey is VZIHICJGJXQGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-4-18-9-12-23-21(15-18)27-24(28(23)14-13-17(2)3)16-29-22-8-6-5-7-20(22)25(31)30(26(29)32)19-10-11-19/h5-9,12,15,17,19H,4,10-11,13-14,16H2,1-3H3.
What are the key properties of 3-cyclopropyl-1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione?
3-cyclopropyl-1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione has a molecular weight of 430.55 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]quinazoline-2,4-dione is sourced from PubChem (CID 20814053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).