4-(2-pyrrolidin-1-ylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

C19H20N6 — CID 135812562

IUPAC4-(2-pyrrolidin-1-ylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESNC1=NC(c2ccccc2N2CCCC2)n2c(nc3ccccc32)N1
InChIInChI=1S/C19H20N6/c20-18-22-17(13-7-1-3-9-15(13)24-11-5-6-12-24)25-16-10-4-2-8-14(16)21-19(25)23-18/h1-4,7-10,17H,5-6,11-12H2,(H3,20,21,22,23)
InChIKeySDYXNXJILAOYGF-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.92
Rot. Bonds2

About 4-(2-pyrrolidin-1-ylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

4-(2-pyrrolidin-1-ylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (PubChem CID 135812562) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-(2-pyrrolidin-1-ylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.

Molecular Properties

Compound Name4-(2-pyrrolidin-1-ylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
PubChem CID135812562
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name4-(2-pyrrolidin-1-ylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESNC1=NC(c2ccccc2N2CCCC2)n2c(nc3ccccc32)N1
InChIInChI=1S/C19H20N6/c20-18-22-17(13-7-1-3-9-15(13)24-11-5-6-12-24)25-16-10-4-2-8-14(16)21-19(25)23-18/h1-4,7-10,17H,5-6,11-12H2,(H3,20,21,22,23)
InChIKeySDYXNXJILAOYGF-UHFFFAOYSA-N
XLogP2.92
TPSA71.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-4-(2-chlorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 941141
(4R)-4-(2-fluorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 136683267
4-(2-methoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 3270126
2-[2-[(4S)-2-amino-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-yl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 136791706
(4S)-4-[2-(difluoromethoxy)phenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 136732436
4-(1H-indol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 4874723
4-(5-chloro-2-fluorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135629392
4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 3447536
4-(8-methoxynaphthalen-1-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 4979744
(4R)-4-(2-prop-2-enoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 136890617
2-(2-amino-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-yl)-6-nitrophenol
CID 135637404
(4R)-4-(4-chlorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 901239

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-1-ylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The IUPAC name of 4-(2-pyrrolidin-1-ylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (CID 135812562) is 4-(2-pyrrolidin-1-ylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.
What is the SMILES notation for 4-(2-pyrrolidin-1-ylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The canonical SMILES for 4-(2-pyrrolidin-1-ylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is NC1=NC(c2ccccc2N2CCCC2)n2c(nc3ccccc32)N1.
What is the InChIKey of 4-(2-pyrrolidin-1-ylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The InChIKey is SDYXNXJILAOYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c20-18-22-17(13-7-1-3-9-15(13)24-11-5-6-12-24)25-16-10-4-2-8-14(16)21-19(25)23-18/h1-4,7-10,17H,5-6,11-12H2,(H3,20,21,22,23).
What are the key properties of 4-(2-pyrrolidin-1-ylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
4-(2-pyrrolidin-1-ylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine has a molecular weight of 332.41 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-1-ylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 135812562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).