N'-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine

C17H22N8O — CID 159415308

IUPACN'-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine
SMILESCc1nc2ccccc2n1-c1nc(NCCN)nc(N2CCOCC2)n1
InChIInChI=1S/C17H22N8O/c1-12-20-13-4-2-3-5-14(13)25(12)17-22-15(19-7-6-18)21-16(23-17)24-8-10-26-11-9-24/h2-5H,6-11,18H2,1H3,(H,19,21,22,23)
InChIKeyLPBZDBBDNWRUKZ-UHFFFAOYSA-N
MW354.42 g/mol
LogP0.73
Rot. Bonds5

About N'-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine

N'-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine (PubChem CID 159415308) has the molecular formula C17H22N8O and a molecular weight of 354.42 g/mol. Its IUPAC name is N'-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine
PubChem CID159415308
Molecular FormulaC17H22N8O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC NameN'-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine
SMILESCc1nc2ccccc2n1-c1nc(NCCN)nc(N2CCOCC2)n1
InChIInChI=1S/C17H22N8O/c1-12-20-13-4-2-3-5-14(13)25(12)17-22-15(19-7-6-18)21-16(23-17)24-8-10-26-11-9-24/h2-5H,6-11,18H2,1H3,(H,19,21,22,23)
InChIKeyLPBZDBBDNWRUKZ-UHFFFAOYSA-N
XLogP0.73
TPSA107.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-methyl-3-[[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide
CID 157179491
N-methyl-4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyrimidin-5-yl-1,3,5-triazin-2-amine
CID 70802127
4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine
CID 163440865
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66570855
4-[2-[[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]phenol
CID 70810466
4-[2-(2-methylbenzimidazol-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59593144
tris(4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine);4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(2-methyl-1-naphthalen-2-ylpropan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 157085322
4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine;fermium
CID 163440864
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyridin-4-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66571001
4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-(1-phenylethyl)-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1S)-1-phenylpropyl]-1,3,5-triazin-2-amine;4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-N-[(1R)-1-phenylpropyl]-1,3,5-triazin-2-amine
CID 160528643
2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethanol
CID 44608908
4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 22036872

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine (CID 159415308) is N'-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine is Cc1nc2ccccc2n1-c1nc(NCCN)nc(N2CCOCC2)n1.
What is the InChIKey of N'-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine?
The InChIKey is LPBZDBBDNWRUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O/c1-12-20-13-4-2-3-5-14(13)25(12)17-22-15(19-7-6-18)21-16(23-17)24-8-10-26-11-9-24/h2-5H,6-11,18H2,1H3,(H,19,21,22,23).
What are the key properties of N'-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine?
N'-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine has a molecular weight of 354.42 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 159415308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).