3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-oxoquinazolin-3-yl)propanamide

C21H21N5O3 — CID 134061353

IUPAC3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-oxoquinazolin-3-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)Nn2cnc3ccccc3c2=O)c2ccccc21
InChIInChI=1S/C21H21N5O3/c1-2-12-24-17-9-5-6-10-18(17)25(21(24)29)13-11-19(27)23-26-14-22-16-8-4-3-7-15(16)20(26)28/h3-10,14H,2,11-13H2,1H3,(H,23,27)
InChIKeyXNNYAUSWIDCJDY-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.08
Rot. Bonds6

About 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-oxoquinazolin-3-yl)propanamide

3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 134061353) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-oxoquinazolin-3-yl)propanamide
PubChem CID134061353
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-oxoquinazolin-3-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)Nn2cnc3ccccc3c2=O)c2ccccc21
InChIInChI=1S/C21H21N5O3/c1-2-12-24-17-9-5-6-10-18(17)25(21(24)29)13-11-19(27)23-26-14-22-16-8-4-3-7-15(16)20(26)28/h3-10,14H,2,11-13H2,1H3,(H,23,27)
InChIKeyXNNYAUSWIDCJDY-UHFFFAOYSA-N
XLogP2.08
TPSA90.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-oxoquinazolin-3-yl)pentanamide
CID 27757903
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-oxoquinazolin-3-yl)propanamide
CID 134061354
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-quinolin-2-ylpropanamide
CID 55450942
3-ethyl-4-oxo-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]phthalazine-1-carbohydrazide
CID 24532217
N-(4-oxoquinazolin-3-yl)-2-(4-phenylphenyl)acetamide
CID 26181771
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 24645457
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
CID 18132525
N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 33154220
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenoxyethyl)propanamide
CID 30859218
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 55450886
3-propylquinazolin-4-one
CID 529124
N-(3-aminopropyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride
CID 119406011

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-oxoquinazolin-3-yl)propanamide (CID 134061353) is 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-oxoquinazolin-3-yl)propanamide is CCCn1c(=O)n(CCC(=O)Nn2cnc3ccccc3c2=O)c2ccccc21.
What is the InChIKey of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is XNNYAUSWIDCJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-2-12-24-17-9-5-6-10-18(17)25(21(24)29)13-11-19(27)23-26-14-22-16-8-4-3-7-15(16)20(26)28/h3-10,14H,2,11-13H2,1H3,(H,23,27).
What are the key properties of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-oxoquinazolin-3-yl)propanamide?
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 391.43 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 134061353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).