1-(cyclopropylmethyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydroimidazol-2-amine

C15H21N3O2 — CID 79521769

IUPAC1-(cyclopropylmethyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydroimidazol-2-amine
SMILESCOc1ccc(OC)c(C2CN=C(N)N2CC2CC2)c1
InChIInChI=1S/C15H21N3O2/c1-19-11-5-6-14(20-2)12(7-11)13-8-17-15(16)18(13)9-10-3-4-10/h5-7,10,13H,3-4,8-9H2,1-2H3,(H2,16,17)
InChIKeyXBVHJWMKBXYHRH-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.79
Rot. Bonds5

About 1-(cyclopropylmethyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydroimidazol-2-amine

1-(cyclopropylmethyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79521769) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79521769
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(cyclopropylmethyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydroimidazol-2-amine
SMILESCOc1ccc(OC)c(C2CN=C(N)N2CC2CC2)c1
InChIInChI=1S/C15H21N3O2/c1-19-11-5-6-14(20-2)12(7-11)13-8-17-15(16)18(13)9-10-3-4-10/h5-7,10,13H,3-4,8-9H2,1-2H3,(H2,16,17)
InChIKeyXBVHJWMKBXYHRH-UHFFFAOYSA-N
XLogP1.79
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(cyclopropylmethyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydroimidazol-2-amine (CID 79521769) is 1-(cyclopropylmethyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydroimidazol-2-amine is COc1ccc(OC)c(C2CN=C(N)N2CC2CC2)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is XBVHJWMKBXYHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-19-11-5-6-14(20-2)12(7-11)13-8-17-15(16)18(13)9-10-3-4-10/h5-7,10,13H,3-4,8-9H2,1-2H3,(H2,16,17).
What are the key properties of 1-(cyclopropylmethyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydroimidazol-2-amine?
1-(cyclopropylmethyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 275.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79521769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).