N-pentyl-1-phenylmethoxy-4,5-dihydroimidazol-2-amine

C15H23N3O — CID 10038305

IUPACN-pentyl-1-phenylmethoxy-4,5-dihydroimidazol-2-amine
SMILESCCCCCNC1=NCCN1OCc1ccccc1
InChIInChI=1S/C15H23N3O/c1-2-3-7-10-16-15-17-11-12-18(15)19-13-14-8-5-4-6-9-14/h4-6,8-9H,2-3,7,10-13H2,1H3,(H,16,17)
InChIKeyDQMIMXPYDFCWMV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.57
Rot. Bonds7

About N-pentyl-1-phenylmethoxy-4,5-dihydroimidazol-2-amine

N-pentyl-1-phenylmethoxy-4,5-dihydroimidazol-2-amine (PubChem CID 10038305) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-pentyl-1-phenylmethoxy-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-pentyl-1-phenylmethoxy-4,5-dihydroimidazol-2-amine
PubChem CID10038305
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-pentyl-1-phenylmethoxy-4,5-dihydroimidazol-2-amine
SMILESCCCCCNC1=NCCN1OCc1ccccc1
InChIInChI=1S/C15H23N3O/c1-2-3-7-10-16-15-17-11-12-18(15)19-13-14-8-5-4-6-9-14/h4-6,8-9H,2-3,7,10-13H2,1H3,(H,16,17)
InChIKeyDQMIMXPYDFCWMV-UHFFFAOYSA-N
XLogP2.57
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-pentyl-1-phenylmethoxy-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-pentyl-1-phenylmethoxy-4,5-dihydroimidazol-2-amine (CID 10038305) is N-pentyl-1-phenylmethoxy-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-pentyl-1-phenylmethoxy-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-pentyl-1-phenylmethoxy-4,5-dihydroimidazol-2-amine is CCCCCNC1=NCCN1OCc1ccccc1.
What is the InChIKey of N-pentyl-1-phenylmethoxy-4,5-dihydroimidazol-2-amine?
The InChIKey is DQMIMXPYDFCWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-3-7-10-16-15-17-11-12-18(15)19-13-14-8-5-4-6-9-14/h4-6,8-9H,2-3,7,10-13H2,1H3,(H,16,17).
What are the key properties of N-pentyl-1-phenylmethoxy-4,5-dihydroimidazol-2-amine?
N-pentyl-1-phenylmethoxy-4,5-dihydroimidazol-2-amine has a molecular weight of 261.37 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1-phenylmethoxy-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 10038305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).