N-(3-methoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C23H25N7O — CID 22423942

IUPACN-(3-methoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOCCCNc1nc2ccccc2c2nc(CCn3c(C)nc4ccccc43)nn12
InChIInChI=1S/C23H25N7O/c1-16-25-19-10-5-6-11-20(19)29(16)14-12-21-27-22-17-8-3-4-9-18(17)26-23(30(22)28-21)24-13-7-15-31-2/h3-6,8-11H,7,12-15H2,1-2H3,(H,24,26)
InChIKeyPETKQLYQKFOOOA-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.63
Rot. Bonds8

About N-(3-methoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

N-(3-methoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 22423942) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID22423942
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC NameN-(3-methoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOCCCNc1nc2ccccc2c2nc(CCn3c(C)nc4ccccc43)nn12
InChIInChI=1S/C23H25N7O/c1-16-25-19-10-5-6-11-20(19)29(16)14-12-21-27-22-17-8-3-4-9-18(17)26-23(30(22)28-21)24-13-7-15-31-2/h3-6,8-11H,7,12-15H2,1-2H3,(H,24,26)
InChIKeyPETKQLYQKFOOOA-UHFFFAOYSA-N
XLogP3.63
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 22423944
1-(4-methoxybutyl)-2-methylbenzimidazole
CID 104649828
ethyl 2-[[2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetate
CID 4295497
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880366
1-(3-methoxypropyl)-2-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 110975119
N-[4-(2-methoxyethoxy)butyl]-1-methylbenzimidazol-2-amine
CID 115735418
1-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-2-amine
CID 62536970
N-(4-bromo-2-fluorophenyl)-2-[[2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide
CID 4106445
N-(3-propan-2-yloxypropyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880354
2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880393
2-[[8,9-dimethoxy-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 46253833
3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-oxophthalazine-1-carboxamide
CID 4825768

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of N-(3-methoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 22423942) is N-(3-methoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for N-(3-methoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for N-(3-methoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COCCCNc1nc2ccccc2c2nc(CCn3c(C)nc4ccccc43)nn12.
What is the InChIKey of N-(3-methoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is PETKQLYQKFOOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-16-25-19-10-5-6-11-20(19)29(16)14-12-21-27-22-17-8-3-4-9-18(17)26-23(30(22)28-21)24-13-7-15-31-2/h3-6,8-11H,7,12-15H2,1-2H3,(H,24,26).
What are the key properties of N-(3-methoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
N-(3-methoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 415.50 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 22423942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).