(4S)-4-benzyl-N,1-di(propan-2-yl)-4,5-dihydroimidazol-2-amine

C16H25N3 — CID 10658971

IUPAC(4S)-4-benzyl-N,1-di(propan-2-yl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)NC1=N[C@@H](Cc2ccccc2)CN1C(C)C
InChIInChI=1S/C16H25N3/c1-12(2)17-16-18-15(11-19(16)13(3)4)10-14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3,(H,17,18)/t15-/m0/s1
InChIKeyJCMSKEIVDFSFRW-HNNXBMFYSA-N
MW259.40 g/mol
LogP2.68
Rot. Bonds4

About (4S)-4-benzyl-N,1-di(propan-2-yl)-4,5-dihydroimidazol-2-amine

(4S)-4-benzyl-N,1-di(propan-2-yl)-4,5-dihydroimidazol-2-amine (PubChem CID 10658971) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is (4S)-4-benzyl-N,1-di(propan-2-yl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(4S)-4-benzyl-N,1-di(propan-2-yl)-4,5-dihydroimidazol-2-amine
PubChem CID10658971
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name(4S)-4-benzyl-N,1-di(propan-2-yl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)NC1=N[C@@H](Cc2ccccc2)CN1C(C)C
InChIInChI=1S/C16H25N3/c1-12(2)17-16-18-15(11-19(16)13(3)4)10-14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3,(H,17,18)/t15-/m0/s1
InChIKeyJCMSKEIVDFSFRW-HNNXBMFYSA-N
XLogP2.68
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4S)-4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl]methanediol
CID 91584546
4-benzyl-N-hexan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 63261356
4-benzyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261477
N-(4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide
CID 10617361
4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261269
4-benzyl-N-[1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63261747
(4S)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
CID 697622
azane;1,2,4-tribenzyl-4,5-dihydroimidazole
CID 175325787
4-benzyl-N-tert-butyl-4,5-dihydro-1,3-thiazol-2-amine
CID 55169774
4-benzyl-N-propan-2-ylaniline
CID 22888879
2-[(4-benzyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide
CID 63261225
(2R)-2-benzyl-1-methylaziridine
CID 87174257

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-N,1-di(propan-2-yl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (4S)-4-benzyl-N,1-di(propan-2-yl)-4,5-dihydroimidazol-2-amine (CID 10658971) is (4S)-4-benzyl-N,1-di(propan-2-yl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (4S)-4-benzyl-N,1-di(propan-2-yl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (4S)-4-benzyl-N,1-di(propan-2-yl)-4,5-dihydroimidazol-2-amine is CC(C)NC1=N[C@@H](Cc2ccccc2)CN1C(C)C.
What is the InChIKey of (4S)-4-benzyl-N,1-di(propan-2-yl)-4,5-dihydroimidazol-2-amine?
The InChIKey is JCMSKEIVDFSFRW-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12(2)17-16-18-15(11-19(16)13(3)4)10-14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3,(H,17,18)/t15-/m0/s1.
What are the key properties of (4S)-4-benzyl-N,1-di(propan-2-yl)-4,5-dihydroimidazol-2-amine?
(4S)-4-benzyl-N,1-di(propan-2-yl)-4,5-dihydroimidazol-2-amine has a molecular weight of 259.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-N,1-di(propan-2-yl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 10658971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).