(5S)-5-methyl-1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine

C15H23N3 — CID 24856296

IUPAC(5S)-5-methyl-1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESCC(C)CCN1C(Nc2ccccc2)=NC[C@@H]1C
InChIInChI=1S/C15H23N3/c1-12(2)9-10-18-13(3)11-16-15(18)17-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,16,17)/t13-/m0/s1
InChIKeyADJDGPJZHNSIKV-ZDUSSCGKSA-N
MW245.37 g/mol
LogP3.20
Rot. Bonds4

About (5S)-5-methyl-1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine

(5S)-5-methyl-1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine (PubChem CID 24856296) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is (5S)-5-methyl-1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-methyl-1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine
PubChem CID24856296
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name(5S)-5-methyl-1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESCC(C)CCN1C(Nc2ccccc2)=NC[C@@H]1C
InChIInChI=1S/C15H23N3/c1-12(2)9-10-18-13(3)11-16-15(18)17-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,16,17)/t13-/m0/s1
InChIKeyADJDGPJZHNSIKV-ZDUSSCGKSA-N
XLogP3.20
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-1-(cyclohexylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine
CID 24856305
(5S)-5-[(2S)-butan-2-yl]-N-(4-chlorophenyl)-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine
CID 102245068
(5S)-5-butan-2-yl-N-(4-chlorophenyl)-1-(2-phenylethyl)-4,5-dihydroimidazol-2-amine
CID 10871965
4-methyl-1-(4-methylpentyl)-N-phenylimidazol-2-amine
CID 106572165
4-anilino-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
CID 59391404
(3S,5R)-3,4,5-trimethyl-N-phenylpiperazin-1-amine
CID 122509172
N-(4-chlorophenyl)-1-methyl-5-phenyl-4,5-dihydroimidazol-2-amine
CID 3028790
5-methyl-N-phenyl-4,5-dihydro-1H-imidazol-2-amine
CID 57292286
(5S)-1-benzyl-5-methyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 166367236
5-methyl-3-(3-methylbutyl)-2-phenylimidazolidin-4-one
CID 83237421
4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide
CID 17183789
2-methyloxirane;N-phenylaniline
CID 174992525

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-methyl-1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine (CID 24856296) is (5S)-5-methyl-1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-methyl-1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-methyl-1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine is CC(C)CCN1C(Nc2ccccc2)=NC[C@@H]1C.
What is the InChIKey of (5S)-5-methyl-1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The InChIKey is ADJDGPJZHNSIKV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3/c1-12(2)9-10-18-13(3)11-16-15(18)17-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (5S)-5-methyl-1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
(5S)-5-methyl-1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine has a molecular weight of 245.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-1-(3-methylbutyl)-N-phenyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 24856296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).