(4S,5S)-4,5-bis(2,4,6-trimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine

C21H27N3 — CID 138967027

IUPAC(4S,5S)-4,5-bis(2,4,6-trimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1cc(C)c([C@@H]2N=C(N)N[C@H]2c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C21H27N3/c1-11-7-13(3)17(14(4)8-11)19-20(24-21(22)23-19)18-15(5)9-12(2)10-16(18)6/h7-10,19-20H,1-6H3,(H3,22,23,24)/t19-,20-/m0/s1
InChIKeyKAGNVMJMTMMYDK-PMACEKPBSA-N
MW321.47 g/mol
LogP4.24
Rot. Bonds2

About (4S,5S)-4,5-bis(2,4,6-trimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine

(4S,5S)-4,5-bis(2,4,6-trimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 138967027) has the molecular formula C21H27N3 and a molecular weight of 321.47 g/mol. Its IUPAC name is (4S,5S)-4,5-bis(2,4,6-trimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name(4S,5S)-4,5-bis(2,4,6-trimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID138967027
Molecular FormulaC21H27N3
Molecular Weight321.47 g/mol
Exact Mass321.22
IUPAC Name(4S,5S)-4,5-bis(2,4,6-trimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1cc(C)c([C@@H]2N=C(N)N[C@H]2c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C21H27N3/c1-11-7-13(3)17(14(4)8-11)19-20(24-21(22)23-19)18-15(5)9-12(2)10-16(18)6/h7-10,19-20H,1-6H3,(H3,22,23,24)/t19-,20-/m0/s1
InChIKeyKAGNVMJMTMMYDK-PMACEKPBSA-N
XLogP4.24
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4,5-bis(2,4,6-trimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of (4S,5S)-4,5-bis(2,4,6-trimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine (CID 138967027) is (4S,5S)-4,5-bis(2,4,6-trimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for (4S,5S)-4,5-bis(2,4,6-trimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for (4S,5S)-4,5-bis(2,4,6-trimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine is Cc1cc(C)c([C@@H]2N=C(N)N[C@H]2c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of (4S,5S)-4,5-bis(2,4,6-trimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is KAGNVMJMTMMYDK-PMACEKPBSA-N. The full InChI is InChI=1S/C21H27N3/c1-11-7-13(3)17(14(4)8-11)19-20(24-21(22)23-19)18-15(5)9-12(2)10-16(18)6/h7-10,19-20H,1-6H3,(H3,22,23,24)/t19-,20-/m0/s1.
What are the key properties of (4S,5S)-4,5-bis(2,4,6-trimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
(4S,5S)-4,5-bis(2,4,6-trimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 321.47 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4,5-bis(2,4,6-trimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 138967027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).