3-[2-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one

C22H21N5O2 — CID 121021849

IUPAC3-[2-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESCc1nc2ccccc2n1C1CCN(C(=O)Cn2cnc3ccccc3c2=O)C1
InChIInChI=1S/C22H21N5O2/c1-15-24-19-8-4-5-9-20(19)27(15)16-10-11-25(12-16)21(28)13-26-14-23-18-7-3-2-6-17(18)22(26)29/h2-9,14,16H,10-13H2,1H3
InChIKeyBNSCPENZNGZHTC-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.53
Rot. Bonds3

About 3-[2-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one

3-[2-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one (PubChem CID 121021849) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-[2-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
PubChem CID121021849
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name3-[2-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESCc1nc2ccccc2n1C1CCN(C(=O)Cn2cnc3ccccc3c2=O)C1
InChIInChI=1S/C22H21N5O2/c1-15-24-19-8-4-5-9-20(19)27(15)16-10-11-25(12-16)21(28)13-26-14-23-18-7-3-2-6-17(18)22(26)29/h2-9,14,16H,10-13H2,1H3
InChIKeyBNSCPENZNGZHTC-UHFFFAOYSA-N
XLogP2.53
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159971
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
3-[2-[(3S)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 97150971
3-[2-(4-cyclopropyl-2-methylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one
CID 157013903
3-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 100756593
3-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 134012425
3-[2-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 96574064
3-[2-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 119100380
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]methanone
CID 121193939
1-[2-(4-oxoquinazolin-3-yl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 37364453
5-[2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 155952808

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 3-[2-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one (CID 121021849) is 3-[2-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one is Cc1nc2ccccc2n1C1CCN(C(=O)Cn2cnc3ccccc3c2=O)C1.
What is the InChIKey of 3-[2-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one?
The InChIKey is BNSCPENZNGZHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-15-24-19-8-4-5-9-20(19)27(15)16-10-11-25(12-16)21(28)13-26-14-23-18-7-3-2-6-17(18)22(26)29/h2-9,14,16H,10-13H2,1H3.
What are the key properties of 3-[2-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one?
3-[2-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one has a molecular weight of 387.44 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 121021849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).