5-[[3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one

C21H19N7O — CID 1253520

IUPAC5-[[3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc2nc(Nc3ccc4[nH]c(=O)[nH]c4c3)c(-n3nc(C)cc3C)nc2c1
InChIInChI=1S/C21H19N7O/c1-11-4-6-15-17(8-11)24-20(28-13(3)9-12(2)27-28)19(23-15)22-14-5-7-16-18(10-14)26-21(29)25-16/h4-10H,1-3H3,(H,22,23)(H2,25,26,29)
InChIKeyPXYWXGIMQSDKDV-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.65
Rot. Bonds3

About 5-[[3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one

5-[[3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 1253520) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is 5-[[3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one
PubChem CID1253520
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC Name5-[[3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc2nc(Nc3ccc4[nH]c(=O)[nH]c4c3)c(-n3nc(C)cc3C)nc2c1
InChIInChI=1S/C21H19N7O/c1-11-4-6-15-17(8-11)24-20(28-13(3)9-12(2)27-28)19(23-15)22-14-5-7-16-18(10-14)26-21(29)25-16/h4-10H,1-3H3,(H,22,23)(H2,25,26,29)
InChIKeyPXYWXGIMQSDKDV-UHFFFAOYSA-N
XLogP3.65
TPSA104.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one (CID 1253520) is 5-[[3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one is Cc1ccc2nc(Nc3ccc4[nH]c(=O)[nH]c4c3)c(-n3nc(C)cc3C)nc2c1.
What is the InChIKey of 5-[[3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is PXYWXGIMQSDKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c1-11-4-6-15-17(8-11)24-20(28-13(3)9-12(2)27-28)19(23-15)22-14-5-7-16-18(10-14)26-21(29)25-16/h4-10H,1-3H3,(H,22,23)(H2,25,26,29).
What are the key properties of 5-[[3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one?
5-[[3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 385.43 g/mol, XLogP of 3.65, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3,5-dimethylpyrazol-1-yl)-6-methylquinoxalin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 1253520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).