1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2,3-dihydroindole

C14H11ClN6 — CID 62869182

IUPAC1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2,3-dihydroindole
SMILESClc1nc(N2CCc3ccccc32)nc(-n2ccnc2)n1
InChIInChI=1S/C14H11ClN6/c15-12-17-13(20-8-6-16-9-20)19-14(18-12)21-7-5-10-3-1-2-4-11(10)21/h1-4,6,8-9H,5,7H2
InChIKeyUTZZIRLQAPPRRR-UHFFFAOYSA-N
MW298.74 g/mol
LogP2.40
Rot. Bonds2

About 1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2,3-dihydroindole

1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2,3-dihydroindole (PubChem CID 62869182) has the molecular formula C14H11ClN6 and a molecular weight of 298.74 g/mol. Its IUPAC name is 1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2,3-dihydroindole
PubChem CID62869182
Molecular FormulaC14H11ClN6
Molecular Weight298.74 g/mol
Exact Mass298.07
IUPAC Name1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2,3-dihydroindole
SMILESClc1nc(N2CCc3ccccc32)nc(-n2ccnc2)n1
InChIInChI=1S/C14H11ClN6/c15-12-17-13(20-8-6-16-9-20)19-14(18-12)21-7-5-10-3-1-2-4-11(10)21/h1-4,6,8-9H,5,7H2
InChIKeyUTZZIRLQAPPRRR-UHFFFAOYSA-N
XLogP2.40
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.74
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
7,8-dichloro-2-(2,3-dihydroindol-1-yl)-4-imidazol-1-ylquinoline
CID 174164742
4-chloro-6-(2,3-dihydroindol-1-yl)-N-ethyl-1,3,5-triazin-2-amine
CID 80767442
2-chloro-4-imidazol-1-yl-6-(2-methylpyrrolidin-1-yl)-1,3,5-triazine
CID 55125230
2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazine
CID 62863717
1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole
CID 22731926
N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112897064
N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine
CID 112927774
4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine
CID 62864577
4-chloro-N-(2-chlorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62868995
2-chloro-4-imidazol-1-yl-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazine
CID 62865112
4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)morpholine-3-carboxamide
CID 83098938

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2,3-dihydroindole?
The IUPAC name of 1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2,3-dihydroindole (CID 62869182) is 1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2,3-dihydroindole?
The canonical SMILES for 1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2,3-dihydroindole is Clc1nc(N2CCc3ccccc32)nc(-n2ccnc2)n1.
What is the InChIKey of 1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2,3-dihydroindole?
The InChIKey is UTZZIRLQAPPRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN6/c15-12-17-13(20-8-6-16-9-20)19-14(18-12)21-7-5-10-3-1-2-4-11(10)21/h1-4,6,8-9H,5,7H2.
What are the key properties of 1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2,3-dihydroindole?
1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2,3-dihydroindole has a molecular weight of 298.74 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-2,3-dihydroindole is sourced from PubChem (CID 62869182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).