4-[2-methyl-3-(5-methylquinolin-4-yl)-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine

C24H23N7O — CID 134371818

IUPAC4-[2-methyl-3-(5-methylquinolin-4-yl)-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine
SMILESCc1cccc2nccc(-n3c(C)nc4c(-c5ncn[nH]5)cc(N5CCOCC5)cc43)c12
InChIInChI=1S/C24H23N7O/c1-15-4-3-5-19-22(15)20(6-7-25-19)31-16(2)28-23-18(24-26-14-27-29-24)12-17(13-21(23)31)30-8-10-32-11-9-30/h3-7,12-14H,8-11H2,1-2H3,(H,26,27,29)
InChIKeyMYXNCYIQLWSXJD-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.81
Rot. Bonds3

About 4-[2-methyl-3-(5-methylquinolin-4-yl)-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine

4-[2-methyl-3-(5-methylquinolin-4-yl)-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine (PubChem CID 134371818) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is 4-[2-methyl-3-(5-methylquinolin-4-yl)-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-3-(5-methylquinolin-4-yl)-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine
PubChem CID134371818
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name4-[2-methyl-3-(5-methylquinolin-4-yl)-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine
SMILESCc1cccc2nccc(-n3c(C)nc4c(-c5ncn[nH]5)cc(N5CCOCC5)cc43)c12
InChIInChI=1S/C24H23N7O/c1-15-4-3-5-19-22(15)20(6-7-25-19)31-16(2)28-23-18(24-26-14-27-29-24)12-17(13-21(23)31)30-8-10-32-11-9-30/h3-7,12-14H,8-11H2,1-2H3,(H,26,27,29)
InChIKeyMYXNCYIQLWSXJD-UHFFFAOYSA-N
XLogP3.81
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(5-fluoroquinolin-4-yl)-2-methyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine
CID 134371788
4-[3-(7-fluoroquinolin-4-yl)-2-methyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine
CID 134371796
4-[2-methyl-3-(2-piperazin-1-ylquinolin-4-yl)-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine
CID 134362130
4-[2-ethyl-7-(1H-1,2,4-triazol-5-yl)-3-[3-(1H-1,2,4-triazol-5-yl)quinolin-4-yl]benzimidazol-5-yl]morpholine
CID 134372029
4-[2-methyl-3-[2-(1H-pyrazol-4-yl)quinolin-4-yl]-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine;2,2,2-trifluoroacetic acid
CID 134361870
4-[3-(8-chloroquinolin-4-yl)-2-methyl-7-(1H-pyrazol-5-yl)benzimidazol-5-yl]morpholine
CID 134371941
methyl 1-(5-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134362246
2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134361760
1-(5-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134362140
4-[3-(8-chloro-7-fluoroquinolin-4-yl)-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine
CID 134371782
5,8-difluoro-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline
CID 134372848
4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzimidazol-5-yl]morpholine
CID 134371864

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-(5-methylquinolin-4-yl)-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[2-methyl-3-(5-methylquinolin-4-yl)-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine (CID 134371818) is 4-[2-methyl-3-(5-methylquinolin-4-yl)-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-3-(5-methylquinolin-4-yl)-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[2-methyl-3-(5-methylquinolin-4-yl)-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine is Cc1cccc2nccc(-n3c(C)nc4c(-c5ncn[nH]5)cc(N5CCOCC5)cc43)c12.
What is the InChIKey of 4-[2-methyl-3-(5-methylquinolin-4-yl)-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine?
The InChIKey is MYXNCYIQLWSXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-15-4-3-5-19-22(15)20(6-7-25-19)31-16(2)28-23-18(24-26-14-27-29-24)12-17(13-21(23)31)30-8-10-32-11-9-30/h3-7,12-14H,8-11H2,1-2H3,(H,26,27,29).
What are the key properties of 4-[2-methyl-3-(5-methylquinolin-4-yl)-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine?
4-[2-methyl-3-(5-methylquinolin-4-yl)-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine has a molecular weight of 425.50 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-(5-methylquinolin-4-yl)-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine is sourced from PubChem (CID 134371818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).