ethane;N-phenyl-4,5-dihydro-1H-imidazol-2-amine

C11H17N3 — CID 90984879

IUPACethane;N-phenyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCC.c1ccc(NC2=NCCN2)cc1
InChIInChI=1S/C9H11N3.C2H6/c1-2-4-8(5-3-1)12-9-10-6-7-11-9;1-2/h1-5H,6-7H2,(H2,10,11,12);1-2H3
InChIKeyTXJRKEIXDCBOQV-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.08
Rot. Bonds1

About ethane;N-phenyl-4,5-dihydro-1H-imidazol-2-amine

ethane;N-phenyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 90984879) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is ethane;N-phenyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Nameethane;N-phenyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID90984879
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Nameethane;N-phenyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCC.c1ccc(NC2=NCCN2)cc1
InChIInChI=1S/C9H11N3.C2H6/c1-2-4-8(5-3-1)12-9-10-6-7-11-9;1-2/h1-5H,6-7H2,(H2,10,11,12);1-2H3
InChIKeyTXJRKEIXDCBOQV-UHFFFAOYSA-N
XLogP2.08
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 52949076
1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-3-phenylurea;2,2,2-trifluoroacetic acid
CID 24800853
N-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 90678855
N-(2,6-dibromophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 10245368
N-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanesulfonamide
CID 11346205
N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 117069141
N-(2-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 5242373
N-(3-nitrophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 15937972
N-(3-bromo-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114400222
N-(3-fluoro-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 3088359
N-[4-[2-(4-aminophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 44550829
N-dibenzothiophen-2-yl-4,5-dihydro-1H-imidazol-2-amine
CID 22024188

Frequently Asked Questions

What is the IUPAC name of ethane;N-phenyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of ethane;N-phenyl-4,5-dihydro-1H-imidazol-2-amine (CID 90984879) is ethane;N-phenyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for ethane;N-phenyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for ethane;N-phenyl-4,5-dihydro-1H-imidazol-2-amine is CC.c1ccc(NC2=NCCN2)cc1.
What is the InChIKey of ethane;N-phenyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is TXJRKEIXDCBOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3.C2H6/c1-2-4-8(5-3-1)12-9-10-6-7-11-9;1-2/h1-5H,6-7H2,(H2,10,11,12);1-2H3.
What are the key properties of ethane;N-phenyl-4,5-dihydro-1H-imidazol-2-amine?
ethane;N-phenyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 191.28 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-phenyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 90984879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).