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

C15H21N3 — CID 24856257

IUPAC(5S)-1-(cyclobutylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESC[C@H]1CN=C(Nc2ccccc2)N1CC1CCC1
InChIInChI=1S/C15H21N3/c1-12-10-16-15(17-14-8-3-2-4-9-14)18(12)11-13-6-5-7-13/h2-4,8-9,12-13H,5-7,10-11H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyCDTLTXRTKJOKAW-LBPRGKRZSA-N
MW243.35 g/mol
LogP2.96
Rot. Bonds3

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

(5S)-1-(cyclobutylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine (PubChem CID 24856257) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (5S)-1-(cyclobutylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-1-(cyclobutylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine
PubChem CID24856257
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name(5S)-1-(cyclobutylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESC[C@H]1CN=C(Nc2ccccc2)N1CC1CCC1
InChIInChI=1S/C15H21N3/c1-12-10-16-15(17-14-8-3-2-4-9-14)18(12)11-13-6-5-7-13/h2-4,8-9,12-13H,5-7,10-11H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyCDTLTXRTKJOKAW-LBPRGKRZSA-N
XLogP2.96
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Imidazolidine, 2-(2-methylphenylimino)-
CID 142067
Guanidine, N-cyano-N'-phenyl-N''-(1,2,2-trimethylpropyl)-
CID 3050782
N-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 2731293
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-methylaniline
CID 13869765
4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-phenylbenzene-1,4-diamine
CID 17755645
N1-(4,5-Dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
CID 20397157
4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-methylbenzene-1,4-diamine
CID 25209507
4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-ethylbenzene-1,4-diamine
CID 25209509
1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine
CID 25209826
N-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 52942945
N-ethyl-N-phenylimidodicarbonimidic diamide
CID 2943065
Imidazolidine, 2-(phenylimino)-
CID 137235

Frequently Asked Questions

What is the IUPAC name of (5S)-1-(cyclobutylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-1-(cyclobutylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine (CID 24856257) is (5S)-1-(cyclobutylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-1-(cyclobutylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-1-(cyclobutylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine is C[C@H]1CN=C(Nc2ccccc2)N1CC1CCC1.
What is the InChIKey of (5S)-1-(cyclobutylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine?
The InChIKey is CDTLTXRTKJOKAW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3/c1-12-10-16-15(17-14-8-3-2-4-9-14)18(12)11-13-6-5-7-13/h2-4,8-9,12-13H,5-7,10-11H2,1H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (5S)-1-(cyclobutylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine?
(5S)-1-(cyclobutylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(cyclobutylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 24856257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).