1-(cyclopropylmethyl)-5-ethyl-5-(4-methoxyphenyl)-4H-imidazol-2-amine

C16H23N3O — CID 79520804

IUPAC1-(cyclopropylmethyl)-5-ethyl-5-(4-methoxyphenyl)-4H-imidazol-2-amine
SMILESCCC1(c2ccc(OC)cc2)CN=C(N)N1CC1CC1
InChIInChI=1S/C16H23N3O/c1-3-16(13-6-8-14(20-2)9-7-13)11-18-15(17)19(16)10-12-4-5-12/h6-9,12H,3-5,10-11H2,1-2H3,(H2,17,18)
InChIKeyHLAVMLOHOAOEGO-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.34
Rot. Bonds5

About 1-(cyclopropylmethyl)-5-ethyl-5-(4-methoxyphenyl)-4H-imidazol-2-amine

1-(cyclopropylmethyl)-5-ethyl-5-(4-methoxyphenyl)-4H-imidazol-2-amine (PubChem CID 79520804) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-ethyl-5-(4-methoxyphenyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-ethyl-5-(4-methoxyphenyl)-4H-imidazol-2-amine
PubChem CID79520804
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(cyclopropylmethyl)-5-ethyl-5-(4-methoxyphenyl)-4H-imidazol-2-amine
SMILESCCC1(c2ccc(OC)cc2)CN=C(N)N1CC1CC1
InChIInChI=1S/C16H23N3O/c1-3-16(13-6-8-14(20-2)9-7-13)11-18-15(17)19(16)10-12-4-5-12/h6-9,12H,3-5,10-11H2,1-2H3,(H2,17,18)
InChIKeyHLAVMLOHOAOEGO-UHFFFAOYSA-N
XLogP2.34
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-ethyl-5-(4-methoxyphenyl)-4H-imidazol-2-amine?
The IUPAC name of 1-(cyclopropylmethyl)-5-ethyl-5-(4-methoxyphenyl)-4H-imidazol-2-amine (CID 79520804) is 1-(cyclopropylmethyl)-5-ethyl-5-(4-methoxyphenyl)-4H-imidazol-2-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-ethyl-5-(4-methoxyphenyl)-4H-imidazol-2-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-5-ethyl-5-(4-methoxyphenyl)-4H-imidazol-2-amine is CCC1(c2ccc(OC)cc2)CN=C(N)N1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-ethyl-5-(4-methoxyphenyl)-4H-imidazol-2-amine?
The InChIKey is HLAVMLOHOAOEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-16(13-6-8-14(20-2)9-7-13)11-18-15(17)19(16)10-12-4-5-12/h6-9,12H,3-5,10-11H2,1-2H3,(H2,17,18).
What are the key properties of 1-(cyclopropylmethyl)-5-ethyl-5-(4-methoxyphenyl)-4H-imidazol-2-amine?
1-(cyclopropylmethyl)-5-ethyl-5-(4-methoxyphenyl)-4H-imidazol-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-ethyl-5-(4-methoxyphenyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79520804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).