4-(5-methoxy-4-piperazin-1-ylquinazolin-7-yl)-1,3-dihydrobenzimidazol-2-one

C20H20N6O2 — CID 142469020

IUPAC4-(5-methoxy-4-piperazin-1-ylquinazolin-7-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCOc1cc(-c2cccc3[nH]c(=O)[nH]c23)cc2ncnc(N3CCNCC3)c12
InChIInChI=1S/C20H20N6O2/c1-28-16-10-12(13-3-2-4-14-18(13)25-20(27)24-14)9-15-17(16)19(23-11-22-15)26-7-5-21-6-8-26/h2-4,9-11,21H,5-8H2,1H3,(H2,24,25,27)
InChIKeyYVNWUHAOVZVZHK-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.88
Rot. Bonds3

About 4-(5-methoxy-4-piperazin-1-ylquinazolin-7-yl)-1,3-dihydrobenzimidazol-2-one

4-(5-methoxy-4-piperazin-1-ylquinazolin-7-yl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 142469020) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 4-(5-methoxy-4-piperazin-1-ylquinazolin-7-yl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-(5-methoxy-4-piperazin-1-ylquinazolin-7-yl)-1,3-dihydrobenzimidazol-2-one
PubChem CID142469020
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name4-(5-methoxy-4-piperazin-1-ylquinazolin-7-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCOc1cc(-c2cccc3[nH]c(=O)[nH]c23)cc2ncnc(N3CCNCC3)c12
InChIInChI=1S/C20H20N6O2/c1-28-16-10-12(13-3-2-4-14-18(13)25-20(27)24-14)9-15-17(16)19(23-11-22-15)26-7-5-21-6-8-26/h2-4,9-11,21H,5-8H2,1H3,(H2,24,25,27)
InChIKeyYVNWUHAOVZVZHK-UHFFFAOYSA-N
XLogP1.88
TPSA98.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(5-methoxy-4-piperazin-1-ylquinazolin-7-yl)-1,3-dihydrobenzimidazol-2-one with MolForge

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Related Compounds

4-[(7S)-11-chloro-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-12-yl]-1,3-dihydrobenzimidazol-2-one
CID 146461283
4-[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4,5-dimethoxyphenyl]-1,3-dihydrobenzimidazol-2-one
CID 176895356
6-piperazin-1-yl-7,9-dihydropurin-8-one
CID 11586587
4-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 138019808
5,6,7-trimethoxy-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinazoline
CID 71622474
1-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]piperidin-4-one
CID 10992646
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-dihydrobenzimidazol-2-one
CID 138028899
1,2-bis[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-1,2-di(pyrimidin-5-yl)hydrazine
CID 90100891
8,9-dimethoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-one
CID 68770621
1-(5-fluoro-3-methoxy-6-methyl-2-pyridinyl)piperazine
CID 176811584
4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine
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4-methoxy-3-piperazin-1-yl-1,2-benzothiazole
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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-4-piperazin-1-ylquinazolin-7-yl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-(5-methoxy-4-piperazin-1-ylquinazolin-7-yl)-1,3-dihydrobenzimidazol-2-one (CID 142469020) is 4-(5-methoxy-4-piperazin-1-ylquinazolin-7-yl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-(5-methoxy-4-piperazin-1-ylquinazolin-7-yl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-(5-methoxy-4-piperazin-1-ylquinazolin-7-yl)-1,3-dihydrobenzimidazol-2-one is COc1cc(-c2cccc3[nH]c(=O)[nH]c23)cc2ncnc(N3CCNCC3)c12.
What is the InChIKey of 4-(5-methoxy-4-piperazin-1-ylquinazolin-7-yl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is YVNWUHAOVZVZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-28-16-10-12(13-3-2-4-14-18(13)25-20(27)24-14)9-15-17(16)19(23-11-22-15)26-7-5-21-6-8-26/h2-4,9-11,21H,5-8H2,1H3,(H2,24,25,27).
What are the key properties of 4-(5-methoxy-4-piperazin-1-ylquinazolin-7-yl)-1,3-dihydrobenzimidazol-2-one?
4-(5-methoxy-4-piperazin-1-ylquinazolin-7-yl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 376.42 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-4-piperazin-1-ylquinazolin-7-yl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 142469020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).