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

C24H27N7O — CID 22423944

IUPACN-(3-ethoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCCOCCCNc1nc2ccccc2c2nc(CCn3c(C)nc4ccccc43)nn12
InChIInChI=1S/C24H27N7O/c1-3-32-16-8-14-25-24-27-19-10-5-4-9-18(19)23-28-22(29-31(23)24)13-15-30-17(2)26-20-11-6-7-12-21(20)30/h4-7,9-12H,3,8,13-16H2,1-2H3,(H,25,27)
InChIKeyOTFVARWTDWTNAV-UHFFFAOYSA-N
MW429.53 g/mol
LogP4.02
Rot. Bonds9

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

N-(3-ethoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 22423944) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID22423944
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC NameN-(3-ethoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCCOCCCNc1nc2ccccc2c2nc(CCn3c(C)nc4ccccc43)nn12
InChIInChI=1S/C24H27N7O/c1-3-32-16-8-14-25-24-27-19-10-5-4-9-18(19)23-28-22(29-31(23)24)13-15-30-17(2)26-20-11-6-7-12-21(20)30/h4-7,9-12H,3,8,13-16H2,1-2H3,(H,25,27)
InChIKeyOTFVARWTDWTNAV-UHFFFAOYSA-N
XLogP4.02
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 54.02
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-methoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 22423942
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-(2-ethoxyethyl)-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide
CID 111352033
4-N-(3-ethoxypropyl)quinazoline-2,4-diamine
CID 80773022
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
ethyl 2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoacetate
CID 110292029
N-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N'-methyl-N'-propylethane-1,2-diamine
CID 156704942
N-(3-propan-2-yloxypropyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880354
N-(3-ethoxypropyl)-3-phenyltriazolo[1,5-a]quinazolin-5-amine
CID 15945462
1-(4-methoxybutyl)-2-methylbenzimidazole
CID 104649828
1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole
CID 3507993

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of N-(3-ethoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 22423944) is N-(3-ethoxypropyl)-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-ethoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for N-(3-ethoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is CCOCCCNc1nc2ccccc2c2nc(CCn3c(C)nc4ccccc43)nn12.
What is the InChIKey of N-(3-ethoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is OTFVARWTDWTNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-3-32-16-8-14-25-24-27-19-10-5-4-9-18(19)23-28-22(29-31(23)24)13-15-30-17(2)26-20-11-6-7-12-21(20)30/h4-7,9-12H,3,8,13-16H2,1-2H3,(H,25,27).
What are the key properties of N-(3-ethoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
N-(3-ethoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 429.53 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 22423944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).