1-(cyclopropylmethyl)-5-(4-propan-2-yloxyphenyl)-4,5-dihydroimidazol-2-amine

C16H23N3O — CID 79521333

IUPAC1-(cyclopropylmethyl)-5-(4-propan-2-yloxyphenyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)Oc1ccc(C2CN=C(N)N2CC2CC2)cc1
InChIInChI=1S/C16H23N3O/c1-11(2)20-14-7-5-13(6-8-14)15-9-18-16(17)19(15)10-12-3-4-12/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H2,17,18)
InChIKeyMNXTWFAOIKEQQZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.56
Rot. Bonds5

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

1-(cyclopropylmethyl)-5-(4-propan-2-yloxyphenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79521333) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-(4-propan-2-yloxyphenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-(4-propan-2-yloxyphenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79521333
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(cyclopropylmethyl)-5-(4-propan-2-yloxyphenyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)Oc1ccc(C2CN=C(N)N2CC2CC2)cc1
InChIInChI=1S/C16H23N3O/c1-11(2)20-14-7-5-13(6-8-14)15-9-18-16(17)19(15)10-12-3-4-12/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H2,17,18)
InChIKeyMNXTWFAOIKEQQZ-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-(4-propan-2-yloxyphenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(cyclopropylmethyl)-5-(4-propan-2-yloxyphenyl)-4,5-dihydroimidazol-2-amine (CID 79521333) is 1-(cyclopropylmethyl)-5-(4-propan-2-yloxyphenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-(4-propan-2-yloxyphenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-5-(4-propan-2-yloxyphenyl)-4,5-dihydroimidazol-2-amine is CC(C)Oc1ccc(C2CN=C(N)N2CC2CC2)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-(4-propan-2-yloxyphenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is MNXTWFAOIKEQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(2)20-14-7-5-13(6-8-14)15-9-18-16(17)19(15)10-12-3-4-12/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H2,17,18).
What are the key properties of 1-(cyclopropylmethyl)-5-(4-propan-2-yloxyphenyl)-4,5-dihydroimidazol-2-amine?
1-(cyclopropylmethyl)-5-(4-propan-2-yloxyphenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-(4-propan-2-yloxyphenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79521333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).