N-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C24H26N8O — CID 127044243

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESc1ccc2[nH]c(-c3ccc(Nc4nc(N5CCCC5)nc(N5CCOCC5)n4)cc3)nc2c1
InChIInChI=1S/C24H26N8O/c1-2-6-20-19(5-1)26-21(27-20)17-7-9-18(10-8-17)25-22-28-23(31-11-3-4-12-31)30-24(29-22)32-13-15-33-16-14-32/h1-2,5-10H,3-4,11-16H2,(H,26,27)(H,25,28,29,30)
InChIKeySXQGXOOUUKHBOL-UHFFFAOYSA-N
MW442.53 g/mol
LogP3.60
Rot. Bonds5

About N-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

N-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 127044243) has the molecular formula C24H26N8O and a molecular weight of 442.53 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID127044243
Molecular FormulaC24H26N8O
Molecular Weight442.53 g/mol
Exact Mass442.22
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESc1ccc2[nH]c(-c3ccc(Nc4nc(N5CCCC5)nc(N5CCOCC5)n4)cc3)nc2c1
InChIInChI=1S/C24H26N8O/c1-2-6-20-19(5-1)26-21(27-20)17-7-9-18(10-8-17)25-22-28-23(31-11-3-4-12-31)30-24(29-22)32-13-15-33-16-14-32/h1-2,5-10H,3-4,11-16H2,(H,26,27)(H,25,28,29,30)
InChIKeySXQGXOOUUKHBOL-UHFFFAOYSA-N
XLogP3.60
TPSA95.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 127044243) is N-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is c1ccc2[nH]c(-c3ccc(Nc4nc(N5CCCC5)nc(N5CCOCC5)n4)cc3)nc2c1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is SXQGXOOUUKHBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O/c1-2-6-20-19(5-1)26-21(27-20)17-7-9-18(10-8-17)25-22-28-23(31-11-3-4-12-31)30-24(29-22)32-13-15-33-16-14-32/h1-2,5-10H,3-4,11-16H2,(H,26,27)(H,25,28,29,30).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 442.53 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 127044243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).