N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-1-phenylmethanimine

C13H15N3 — CID 10353167

IUPACN-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-1-phenylmethanimine
SMILESC[C@H](Cc1cnc[nH]1)/N=C/c1ccccc1
InChIInChI=1S/C13H15N3/c1-11(7-13-9-14-10-16-13)15-8-12-5-3-2-4-6-12/h2-6,8-11H,7H2,1H3,(H,14,16)/b15-8+/t11-/m1/s1
InChIKeyIIHOXWCZFPPWOZ-OXFWXOROSA-N
MW213.28 g/mol
LogP2.46
Rot. Bonds4

About N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-1-phenylmethanimine

N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-1-phenylmethanimine (PubChem CID 10353167) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-1-phenylmethanimine
PubChem CID10353167
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-1-phenylmethanimine
SMILESC[C@H](Cc1cnc[nH]1)/N=C/c1ccccc1
InChIInChI=1S/C13H15N3/c1-11(7-13-9-14-10-16-13)15-8-12-5-3-2-4-6-12/h2-6,8-11H,7H2,1H3,(H,14,16)/b15-8+/t11-/m1/s1
InChIKeyIIHOXWCZFPPWOZ-OXFWXOROSA-N
XLogP2.46
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-1-phenylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-4-(1H-imidazol-5-yl)-3-(methylamino)-1-[4-[(E)-2-phenylethenyl]phenyl]butan-2-one
CID 129207964
5-(2,3-dimethylbutyl)-1H-imidazole
CID 149460105
benzyl N-[(2S)-1-[(2Z)-2-benzylidenehydrazinyl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate
CID 126000546
benzyl N-[(2R)-1-[(2Z)-2-benzylidenehydrazinyl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate
CID 126000547
3-fluoro-2-[N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-C-phenylcarbonimidoyl]phenol
CID 135529852
(2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride
CID 53313193
5-(2,3-diphenylpropyl)-1H-imidazole
CID 10491736
5-tert-butyl-2-[N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-C-phenylcarbonimidoyl]phenol
CID 135528709
(1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine
CID 63714042
(2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoic acid;hydrochloride
CID 18611837
2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid
CID 175083689
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid);(2S)-2-aminopropanoic acid
CID 18657563

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-1-phenylmethanimine?
The IUPAC name of N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-1-phenylmethanimine (CID 10353167) is N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-1-phenylmethanimine.
What is the SMILES notation for N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-1-phenylmethanimine?
The canonical SMILES for N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-1-phenylmethanimine is C[C@H](Cc1cnc[nH]1)/N=C/c1ccccc1.
What is the InChIKey of N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-1-phenylmethanimine?
The InChIKey is IIHOXWCZFPPWOZ-OXFWXOROSA-N. The full InChI is InChI=1S/C13H15N3/c1-11(7-13-9-14-10-16-13)15-8-12-5-3-2-4-6-12/h2-6,8-11H,7H2,1H3,(H,14,16)/b15-8+/t11-/m1/s1.
What are the key properties of N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-1-phenylmethanimine?
N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-1-phenylmethanimine has a molecular weight of 213.28 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]-1-phenylmethanimine is sourced from PubChem (CID 10353167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).