ethane;1-methyl-4-phenylimidazole;3-phenylpyrrolidine

C24H35N3 — CID 157035998

IUPACethane;1-methyl-4-phenylimidazole;3-phenylpyrrolidine
SMILESCC.CC.Cn1cnc(-c2ccccc2)c1.c1ccc(C2CCNC2)cc1
InChIInChI=1S/C10H10N2.C10H13N.2C2H6/c1-12-7-10(11-8-12)9-5-3-2-4-6-9;1-2-4-9(5-3-1)10-6-7-11-8-10;2*1-2/h2-8H,1H3;1-5,10-11H,6-8H2;2*1-2H3
InChIKeyNJVSBMATYYOTOI-UHFFFAOYSA-N
MW365.57 g/mol
LogP5.90
Rot. Bonds2

About ethane;1-methyl-4-phenylimidazole;3-phenylpyrrolidine

ethane;1-methyl-4-phenylimidazole;3-phenylpyrrolidine (PubChem CID 157035998) has the molecular formula C24H35N3 and a molecular weight of 365.57 g/mol. Its IUPAC name is ethane;1-methyl-4-phenylimidazole;3-phenylpyrrolidine.

Molecular Properties

Compound Nameethane;1-methyl-4-phenylimidazole;3-phenylpyrrolidine
PubChem CID157035998
Molecular FormulaC24H35N3
Molecular Weight365.57 g/mol
Exact Mass365.28
IUPAC Nameethane;1-methyl-4-phenylimidazole;3-phenylpyrrolidine
SMILESCC.CC.Cn1cnc(-c2ccccc2)c1.c1ccc(C2CCNC2)cc1
InChIInChI=1S/C10H10N2.C10H13N.2C2H6/c1-12-7-10(11-8-12)9-5-3-2-4-6-9;1-2-4-9(5-3-1)10-6-7-11-8-10;2*1-2/h2-8H,1H3;1-5,10-11H,6-8H2;2*1-2H3
InChIKeyNJVSBMATYYOTOI-UHFFFAOYSA-N
XLogP5.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.57
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-phenylpyrrolidine
CID 91032726
3-[3-(4-methylphenyl)phenyl]pyrrolidine
CID 82292012
1-methyl-4-phenylimidazole;5-phenyl-1H-imidazole
CID 158259756
1-methylpiperidine;3-phenylpiperidine;pyridine
CID 70537443
1-methyl-4-(3-pyrrolidin-3-ylphenyl)piperazine
CID 117366269
methanamine;4-phenylpiperidine
CID 143444696
5-methyl-2-phenyl-4-[2-[3-[(3R)-pyrrolidin-3-yl]phenoxy]ethyl]-1,3-oxazole
CID 142849494
3-(3-iodophenyl)pyrrolidine;hydrochloride
CID 169498448
3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole
CID 58483583
4-[4-[4-(4-phenylphenyl)phenyl]phenyl]piperidine
CID 146643621
(3S)-3-phenylpyrrolidine;6-pyridin-4-yl-1H-benzimidazole
CID 143821957
3-ethyl-1-phenyl-6-(4-pyrrolidin-3-ylphenyl)indazole;hydrochloride
CID 162332780

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-phenylimidazole;3-phenylpyrrolidine?
The IUPAC name of ethane;1-methyl-4-phenylimidazole;3-phenylpyrrolidine (CID 157035998) is ethane;1-methyl-4-phenylimidazole;3-phenylpyrrolidine.
What is the SMILES notation for ethane;1-methyl-4-phenylimidazole;3-phenylpyrrolidine?
The canonical SMILES for ethane;1-methyl-4-phenylimidazole;3-phenylpyrrolidine is CC.CC.Cn1cnc(-c2ccccc2)c1.c1ccc(C2CCNC2)cc1.
What is the InChIKey of ethane;1-methyl-4-phenylimidazole;3-phenylpyrrolidine?
The InChIKey is NJVSBMATYYOTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.C10H13N.2C2H6/c1-12-7-10(11-8-12)9-5-3-2-4-6-9;1-2-4-9(5-3-1)10-6-7-11-8-10;2*1-2/h2-8H,1H3;1-5,10-11H,6-8H2;2*1-2H3.
What are the key properties of ethane;1-methyl-4-phenylimidazole;3-phenylpyrrolidine?
ethane;1-methyl-4-phenylimidazole;3-phenylpyrrolidine has a molecular weight of 365.57 g/mol, XLogP of 5.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-phenylimidazole;3-phenylpyrrolidine is sourced from PubChem (CID 157035998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).