N-[3-(1-butyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)propyl]-N-methylaniline

C23H31N5 — CID 8003424

IUPACN-[3-(1-butyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)propyl]-N-methylaniline
SMILESCCCCN1CN(CCCN(C)c2ccccc2)Cn2c1nc1ccccc12
InChIInChI=1S/C23H31N5/c1-3-4-17-27-18-26(16-10-15-25(2)20-11-6-5-7-12-20)19-28-22-14-9-8-13-21(22)24-23(27)28/h5-9,11-14H,3-4,10,15-19H2,1-2H3
InChIKeyMAZLXSMEBKEQFP-UHFFFAOYSA-N
MW377.54 g/mol
LogP4.40
Rot. Bonds8

About N-[3-(1-butyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)propyl]-N-methylaniline

N-[3-(1-butyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)propyl]-N-methylaniline (PubChem CID 8003424) has the molecular formula C23H31N5 and a molecular weight of 377.54 g/mol. Its IUPAC name is N-[3-(1-butyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)propyl]-N-methylaniline.

Molecular Properties

Compound NameN-[3-(1-butyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)propyl]-N-methylaniline
PubChem CID8003424
Molecular FormulaC23H31N5
Molecular Weight377.54 g/mol
Exact Mass377.26
IUPAC NameN-[3-(1-butyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)propyl]-N-methylaniline
SMILESCCCCN1CN(CCCN(C)c2ccccc2)Cn2c1nc1ccccc12
InChIInChI=1S/C23H31N5/c1-3-4-17-27-18-26(16-10-15-25(2)20-11-6-5-7-12-20)19-28-22-14-9-8-13-21(22)24-23(27)28/h5-9,11-14H,3-4,10,15-19H2,1-2H3
InChIKeyMAZLXSMEBKEQFP-UHFFFAOYSA-N
XLogP4.40
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-3-[2-(4-chlorophenoxy)ethyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
CID 8812925
3-butyl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole
CID 5150405
4-[2-(1-benzyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)ethyl]morpholine
CID 8003412
N-butyl-N,1-dimethylbenzimidazol-2-amine
CID 71723450
N-methyl-N-(3-pyrrol-1-ylpropyl)aniline
CID 43510642
N-heptyl-N-methylaniline
CID 54015540
1-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
CID 16765798
N-dodecyl-N-methylaniline;hydrochloride
CID 23333551
3-(3-methylbutyl)-1-[[(2R)-oxolan-2-yl]methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
CID 124717215
2-[2-[(3R)-1-butyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 40841095
3-(1-butyl-3,4-dihydro-2H-[1,3,5]triazino[1,2-a]benzimidazol-3-ium-3-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 8003421
1-butyl-3-[2-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-[1,3,5]triazino[1,2-a]benzimidazol-3-ium
CID 7996921

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-butyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)propyl]-N-methylaniline?
The IUPAC name of N-[3-(1-butyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)propyl]-N-methylaniline (CID 8003424) is N-[3-(1-butyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)propyl]-N-methylaniline.
What is the SMILES notation for N-[3-(1-butyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)propyl]-N-methylaniline?
The canonical SMILES for N-[3-(1-butyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)propyl]-N-methylaniline is CCCCN1CN(CCCN(C)c2ccccc2)Cn2c1nc1ccccc12.
What is the InChIKey of N-[3-(1-butyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)propyl]-N-methylaniline?
The InChIKey is MAZLXSMEBKEQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5/c1-3-4-17-27-18-26(16-10-15-25(2)20-11-6-5-7-12-20)19-28-22-14-9-8-13-21(22)24-23(27)28/h5-9,11-14H,3-4,10,15-19H2,1-2H3.
What are the key properties of N-[3-(1-butyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)propyl]-N-methylaniline?
N-[3-(1-butyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)propyl]-N-methylaniline has a molecular weight of 377.54 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-butyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)propyl]-N-methylaniline is sourced from PubChem (CID 8003424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).