6-(3-methoxypropoxy)-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine

C14H23N3O2 — CID 52948388

IUPAC6-(3-methoxypropoxy)-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine
SMILESCOCCCOc1cc(N)c2c(c1)N(C(C)C)CN2
InChIInChI=1S/C14H23N3O2/c1-10(2)17-9-16-14-12(15)7-11(8-13(14)17)19-6-4-5-18-3/h7-8,10,16H,4-6,9,15H2,1-3H3
InChIKeyHDRVSVXSDAHUAC-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.28
Rot. Bonds6

About 6-(3-methoxypropoxy)-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine

6-(3-methoxypropoxy)-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine (PubChem CID 52948388) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-(3-methoxypropoxy)-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine.

Molecular Properties

Compound Name6-(3-methoxypropoxy)-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine
PubChem CID52948388
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name6-(3-methoxypropoxy)-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine
SMILESCOCCCOc1cc(N)c2c(c1)N(C(C)C)CN2
InChIInChI=1S/C14H23N3O2/c1-10(2)17-9-16-14-12(15)7-11(8-13(14)17)19-6-4-5-18-3/h7-8,10,16H,4-6,9,15H2,1-3H3
InChIKeyHDRVSVXSDAHUAC-UHFFFAOYSA-N
XLogP2.28
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropoxy)-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine?
The IUPAC name of 6-(3-methoxypropoxy)-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine (CID 52948388) is 6-(3-methoxypropoxy)-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine.
What is the SMILES notation for 6-(3-methoxypropoxy)-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine?
The canonical SMILES for 6-(3-methoxypropoxy)-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine is COCCCOc1cc(N)c2c(c1)N(C(C)C)CN2.
What is the InChIKey of 6-(3-methoxypropoxy)-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine?
The InChIKey is HDRVSVXSDAHUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)17-9-16-14-12(15)7-11(8-13(14)17)19-6-4-5-18-3/h7-8,10,16H,4-6,9,15H2,1-3H3.
What are the key properties of 6-(3-methoxypropoxy)-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine?
6-(3-methoxypropoxy)-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine has a molecular weight of 265.36 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropoxy)-1-propan-2-yl-2,3-dihydrobenzimidazol-4-amine is sourced from PubChem (CID 52948388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).