1,3-dibutyl-8-[4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]imidazo[4,5-g]quinazolin-2-one

C30H37N7O2 — CID 139785963

IUPAC1,3-dibutyl-8-[4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]imidazo[4,5-g]quinazolin-2-one
SMILESCCCCn1c(=O)n(CCCC)c2cc3c(N4CCC(n5c(=O)[nH]c6cc(C)ccc65)CC4)ncnc3cc21
InChIInChI=1S/C30H37N7O2/c1-4-6-12-35-26-17-22-23(18-27(26)36(30(35)39)13-7-5-2)31-19-32-28(22)34-14-10-21(11-15-34)37-25-9-8-20(3)16-24(25)33-29(37)38/h8-9,16-19,21H,4-7,10-15H2,1-3H3,(H,33,38)
InChIKeyDMNMSGQYUFJPLV-UHFFFAOYSA-N
MW527.67 g/mol
LogP5.14
Rot. Bonds8

About 1,3-dibutyl-8-[4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]imidazo[4,5-g]quinazolin-2-one

1,3-dibutyl-8-[4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]imidazo[4,5-g]quinazolin-2-one (PubChem CID 139785963) has the molecular formula C30H37N7O2 and a molecular weight of 527.67 g/mol. Its IUPAC name is 1,3-dibutyl-8-[4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]imidazo[4,5-g]quinazolin-2-one.

Molecular Properties

Compound Name1,3-dibutyl-8-[4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]imidazo[4,5-g]quinazolin-2-one
PubChem CID139785963
Molecular FormulaC30H37N7O2
Molecular Weight527.67 g/mol
Exact Mass527.30
IUPAC Name1,3-dibutyl-8-[4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]imidazo[4,5-g]quinazolin-2-one
SMILESCCCCn1c(=O)n(CCCC)c2cc3c(N4CCC(n5c(=O)[nH]c6cc(C)ccc65)CC4)ncnc3cc21
InChIInChI=1S/C30H37N7O2/c1-4-6-12-35-26-17-22-23(18-27(26)36(30(35)39)13-7-5-2)31-19-32-28(22)34-14-10-21(11-15-34)37-25-9-8-20(3)16-24(25)33-29(37)38/h8-9,16-19,21H,4-7,10-15H2,1-3H3,(H,33,38)
InChIKeyDMNMSGQYUFJPLV-UHFFFAOYSA-N
XLogP5.14
TPSA93.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.67
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1,3-dibutyl-8-[4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]imidazo[4,5-g]quinazolin-2-one 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 1,3-dibutyl-8-[4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]imidazo[4,5-g]quinazolin-2-one?
The IUPAC name of 1,3-dibutyl-8-[4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]imidazo[4,5-g]quinazolin-2-one (CID 139785963) is 1,3-dibutyl-8-[4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]imidazo[4,5-g]quinazolin-2-one.
What is the SMILES notation for 1,3-dibutyl-8-[4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]imidazo[4,5-g]quinazolin-2-one?
The canonical SMILES for 1,3-dibutyl-8-[4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]imidazo[4,5-g]quinazolin-2-one is CCCCn1c(=O)n(CCCC)c2cc3c(N4CCC(n5c(=O)[nH]c6cc(C)ccc65)CC4)ncnc3cc21.
What is the InChIKey of 1,3-dibutyl-8-[4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]imidazo[4,5-g]quinazolin-2-one?
The InChIKey is DMNMSGQYUFJPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N7O2/c1-4-6-12-35-26-17-22-23(18-27(26)36(30(35)39)13-7-5-2)31-19-32-28(22)34-14-10-21(11-15-34)37-25-9-8-20(3)16-24(25)33-29(37)38/h8-9,16-19,21H,4-7,10-15H2,1-3H3,(H,33,38).
What are the key properties of 1,3-dibutyl-8-[4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]imidazo[4,5-g]quinazolin-2-one?
1,3-dibutyl-8-[4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]imidazo[4,5-g]quinazolin-2-one has a molecular weight of 527.67 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-8-[4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]imidazo[4,5-g]quinazolin-2-one is sourced from PubChem (CID 139785963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).