1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indol-6-yl)benzimidazol-2-amine

C19H16N8 — CID 54580924

IUPAC1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indol-6-yl)benzimidazol-2-amine
SMILESCc1nc(N)nc(-n2c(Nc3ccc4cc[nH]c4c3)nc3ccccc32)n1
InChIInChI=1S/C19H16N8/c1-11-22-17(20)26-18(23-11)27-16-5-3-2-4-14(16)25-19(27)24-13-7-6-12-8-9-21-15(12)10-13/h2-10,21H,1H3,(H,24,25)(H2,20,22,23,26)
InChIKeyBFUAMEMDRSZWDZ-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.33
Rot. Bonds3

About 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indol-6-yl)benzimidazol-2-amine

1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indol-6-yl)benzimidazol-2-amine (PubChem CID 54580924) has the molecular formula C19H16N8 and a molecular weight of 356.39 g/mol. Its IUPAC name is 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indol-6-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indol-6-yl)benzimidazol-2-amine
PubChem CID54580924
Molecular FormulaC19H16N8
Molecular Weight356.39 g/mol
Exact Mass356.15
IUPAC Name1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indol-6-yl)benzimidazol-2-amine
SMILESCc1nc(N)nc(-n2c(Nc3ccc4cc[nH]c4c3)nc3ccccc32)n1
InChIInChI=1S/C19H16N8/c1-11-22-17(20)26-18(23-11)27-16-5-3-2-4-14(16)25-19(27)24-13-7-6-12-8-9-21-15(12)10-13/h2-10,21H,1H3,(H,24,25)(H2,20,22,23,26)
InChIKeyBFUAMEMDRSZWDZ-UHFFFAOYSA-N
XLogP3.33
TPSA110.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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Mavorixafor
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2-Amino-3,4,8-trimethylimidazo(4,5-f)quinoxaline
CID 104739
Toreforant
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2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
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CID 135413565
2-(pyridin-3-yl)-1H-1,3-benzodiazole
CID 247635
4-(1H-indol-3-yl)pyrimidin-2-amine
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PF-4708671
CID 51371303
Apto-253
CID 11960271

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indol-6-yl)benzimidazol-2-amine?
The IUPAC name of 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indol-6-yl)benzimidazol-2-amine (CID 54580924) is 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indol-6-yl)benzimidazol-2-amine.
What is the SMILES notation for 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indol-6-yl)benzimidazol-2-amine?
The canonical SMILES for 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indol-6-yl)benzimidazol-2-amine is Cc1nc(N)nc(-n2c(Nc3ccc4cc[nH]c4c3)nc3ccccc32)n1.
What is the InChIKey of 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indol-6-yl)benzimidazol-2-amine?
The InChIKey is BFUAMEMDRSZWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8/c1-11-22-17(20)26-18(23-11)27-16-5-3-2-4-14(16)25-19(27)24-13-7-6-12-8-9-21-15(12)10-13/h2-10,21H,1H3,(H,24,25)(H2,20,22,23,26).
What are the key properties of 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indol-6-yl)benzimidazol-2-amine?
1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indol-6-yl)benzimidazol-2-amine has a molecular weight of 356.39 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-indol-6-yl)benzimidazol-2-amine is sourced from PubChem (CID 54580924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).