(5S)-N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine

C18H29N3 — CID 25102675

IUPAC(5S)-N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCc1cccc(CCN2C(N(C)C)=NC[C@@H]2CC(C)C)c1
InChIInChI=1S/C18H29N3/c1-14(2)11-17-13-19-18(20(4)5)21(17)10-9-16-8-6-7-15(3)12-16/h6-8,12,14,17H,9-11,13H2,1-5H3/t17-/m0/s1
InChIKeyPNMGWKUTSZIXNN-KRWDZBQOSA-N
MW287.45 g/mol
LogP3.19
Rot. Bonds5

About (5S)-N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine

(5S)-N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine (PubChem CID 25102675) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is (5S)-N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
PubChem CID25102675
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name(5S)-N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCc1cccc(CCN2C(N(C)C)=NC[C@@H]2CC(C)C)c1
InChIInChI=1S/C18H29N3/c1-14(2)11-17-13-19-18(20(4)5)21(17)10-9-16-8-6-7-15(3)12-16/h6-8,12,14,17H,9-11,13H2,1-5H3/t17-/m0/s1
InChIKeyPNMGWKUTSZIXNN-KRWDZBQOSA-N
XLogP3.19
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine (CID 25102675) is (5S)-N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine is Cc1cccc(CCN2C(N(C)C)=NC[C@@H]2CC(C)C)c1.
What is the InChIKey of (5S)-N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is PNMGWKUTSZIXNN-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H29N3/c1-14(2)11-17-13-19-18(20(4)5)21(17)10-9-16-8-6-7-15(3)12-16/h6-8,12,14,17H,9-11,13H2,1-5H3/t17-/m0/s1.
What are the key properties of (5S)-N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
(5S)-N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 287.45 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N,N-dimethyl-1-[2-(3-methylphenyl)ethyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 25102675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).