4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide

C23H23N5O3 — CID 118058874

IUPAC4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide
SMILESNC(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccccc32)nc(=O)c2ccccc21
InChIInChI=1S/C23H23N5O3/c24-20(29)10-5-13-26-17-7-2-1-6-16(17)22(30)25-21(26)14-27-18-8-3-4-9-19(18)28(23(27)31)15-11-12-15/h1-4,6-9,15H,5,10-14H2,(H2,24,29)
InChIKeyLCSWHHOHVJMUFU-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.16
Rot. Bonds7

About 4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide

4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide (PubChem CID 118058874) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide.

Molecular Properties

Compound Name4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide
PubChem CID118058874
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide
SMILESNC(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccccc32)nc(=O)c2ccccc21
InChIInChI=1S/C23H23N5O3/c24-20(29)10-5-13-26-17-7-2-1-6-16(17)22(30)25-21(26)14-27-18-8-3-4-9-19(18)28(23(27)31)15-11-12-15/h1-4,6-9,15H,5,10-14H2,(H2,24,29)
InChIKeyLCSWHHOHVJMUFU-UHFFFAOYSA-N
XLogP2.16
TPSA104.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide?
The IUPAC name of 4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide (CID 118058874) is 4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide.
What is the SMILES notation for 4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide?
The canonical SMILES for 4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide is NC(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccccc32)nc(=O)c2ccccc21.
What is the InChIKey of 4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide?
The InChIKey is LCSWHHOHVJMUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c24-20(29)10-5-13-26-17-7-2-1-6-16(17)22(30)25-21(26)14-27-18-8-3-4-9-19(18)28(23(27)31)15-11-12-15/h1-4,6-9,15H,5,10-14H2,(H2,24,29).
What are the key properties of 4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide?
4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide has a molecular weight of 417.47 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]-4-oxoquinazolin-1-yl]butanamide is sourced from PubChem (CID 118058874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).