3-cycloheptyl-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole

C18H23N7 — CID 17229349

IUPAC3-cycloheptyl-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
SMILESc1ccc2c(c1)nc1n2CN(C2CCCCCC2)CN1n1cnnc1
InChIInChI=1S/C18H23N7/c1-2-4-8-15(7-3-1)22-13-24-17-10-6-5-9-16(17)21-18(24)25(14-22)23-11-19-20-12-23/h5-6,9-12,15H,1-4,7-8,13-14H2
InChIKeyFBWNCYVXDXMCHI-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.85
Rot. Bonds2

About 3-cycloheptyl-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole

3-cycloheptyl-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole (PubChem CID 17229349) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-cycloheptyl-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-cycloheptyl-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
PubChem CID17229349
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Name3-cycloheptyl-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
SMILESc1ccc2c(c1)nc1n2CN(C2CCCCCC2)CN1n1cnnc1
InChIInChI=1S/C18H23N7/c1-2-4-8-15(7-3-1)22-13-24-17-10-6-5-9-16(17)21-18(24)25(14-22)23-11-19-20-12-23/h5-6,9-12,15H,1-4,7-8,13-14H2
InChIKeyFBWNCYVXDXMCHI-UHFFFAOYSA-N
XLogP2.85
TPSA55.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[(2R)-oxolan-2-yl]methyl]-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
CID 29103270
3-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
CID 17229325
1-(1-cyclooctylpiperidin-4-yl)-3-methylquinoxalin-2-one
CID 118919117
N-cyclohexyl-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbothioamide
CID 7504061
3-(4-cyclohexylpiperazine-1-carbonyl)-1-methylquinoxalin-2-one
CID 46364975
4-cycloheptyl-9-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4,6,8,10,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),6,11,13,15-pentaene
CID 66507109
1-cyclohexyl-2-[6-(1-cyclohexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;vanadium;trichloride
CID 173243403
1,3-bis[[(2S)-oxolan-2-yl]methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
CID 97182663
(1S,12R,13S)-18-cyclohexyl-17-oxa-3,10,18-triazapentacyclo[10.4.2.01,13.03,11.04,9]octadeca-4,6,8,10-tetraene
CID 42604561
2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile
CID 63638067
4-cyclopentyl-9-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4,6,8,10,17-hexazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),6,11,13,15-pentaene
CID 66507528
1,3-dimethyl-4,5-dihydro-3H-[1,3]diazepino[1,2-a]benzimidazol-2-one;ethane
CID 145225527

Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole?
The IUPAC name of 3-cycloheptyl-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole (CID 17229349) is 3-cycloheptyl-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole.
What is the SMILES notation for 3-cycloheptyl-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole?
The canonical SMILES for 3-cycloheptyl-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole is c1ccc2c(c1)nc1n2CN(C2CCCCCC2)CN1n1cnnc1.
What is the InChIKey of 3-cycloheptyl-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole?
The InChIKey is FBWNCYVXDXMCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7/c1-2-4-8-15(7-3-1)22-13-24-17-10-6-5-9-16(17)21-18(24)25(14-22)23-11-19-20-12-23/h5-6,9-12,15H,1-4,7-8,13-14H2.
What are the key properties of 3-cycloheptyl-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole?
3-cycloheptyl-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole has a molecular weight of 337.43 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole is sourced from PubChem (CID 17229349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).