ethane;2-methyl-4,5-dihydro-1H-imidazole;1-methyl-2-phenylpyrrolidine

C17H29N3 — CID 142986060

IUPACethane;2-methyl-4,5-dihydro-1H-imidazole;1-methyl-2-phenylpyrrolidine
SMILESCC.CC1=NCCN1.CN1CCCC1c1ccccc1
InChIInChI=1S/C11H15N.C4H8N2.C2H6/c1-12-9-5-8-11(12)10-6-3-2-4-7-10;1-4-5-2-3-6-4;1-2/h2-4,6-7,11H,5,8-9H2,1H3;2-3H2,1H3,(H,5,6);1-2H3
InChIKeyBWJGFFHERUOTGA-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.49
Rot. Bonds1

About ethane;2-methyl-4,5-dihydro-1H-imidazole;1-methyl-2-phenylpyrrolidine

ethane;2-methyl-4,5-dihydro-1H-imidazole;1-methyl-2-phenylpyrrolidine (PubChem CID 142986060) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is ethane;2-methyl-4,5-dihydro-1H-imidazole;1-methyl-2-phenylpyrrolidine.

Molecular Properties

Compound Nameethane;2-methyl-4,5-dihydro-1H-imidazole;1-methyl-2-phenylpyrrolidine
PubChem CID142986060
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Nameethane;2-methyl-4,5-dihydro-1H-imidazole;1-methyl-2-phenylpyrrolidine
SMILESCC.CC1=NCCN1.CN1CCCC1c1ccccc1
InChIInChI=1S/C11H15N.C4H8N2.C2H6/c1-12-9-5-8-11(12)10-6-3-2-4-7-10;1-4-5-2-3-6-4;1-2/h2-4,6-7,11H,5,8-9H2,1H3;2-3H2,1H3,(H,5,6);1-2H3
InChIKeyBWJGFFHERUOTGA-UHFFFAOYSA-N
XLogP3.49
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 5504
2-Phenylimidazoline
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2-((4,5-dihydro-1H-imidazol-2-yl)methyl)-2,3-dihydro-1-methyl-1H-isoindole
CID 121850
1-benzyl-N-methylpyrrolidin-3-amine
CID 13787478
2-(4-methylphenyl)-4,5-dihydro-1H-imidazole
CID 231469
1H-Imidazole, 4,5-dihydro-5-methyl-2-phenyl-
CID 70319
2,4,5-Triphenyl-2-imidazoline
CID 101777
2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)-
CID 81501
CID 44419881
CID 44419881
N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine
CID 334449
2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole
CID 10012705
1H-Imidazole, 4,5-dihydro-2-(2-methylphenyl)-
CID 10057802

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4,5-dihydro-1H-imidazole;1-methyl-2-phenylpyrrolidine?
The IUPAC name of ethane;2-methyl-4,5-dihydro-1H-imidazole;1-methyl-2-phenylpyrrolidine (CID 142986060) is ethane;2-methyl-4,5-dihydro-1H-imidazole;1-methyl-2-phenylpyrrolidine.
What is the SMILES notation for ethane;2-methyl-4,5-dihydro-1H-imidazole;1-methyl-2-phenylpyrrolidine?
The canonical SMILES for ethane;2-methyl-4,5-dihydro-1H-imidazole;1-methyl-2-phenylpyrrolidine is CC.CC1=NCCN1.CN1CCCC1c1ccccc1.
What is the InChIKey of ethane;2-methyl-4,5-dihydro-1H-imidazole;1-methyl-2-phenylpyrrolidine?
The InChIKey is BWJGFFHERUOTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C4H8N2.C2H6/c1-12-9-5-8-11(12)10-6-3-2-4-7-10;1-4-5-2-3-6-4;1-2/h2-4,6-7,11H,5,8-9H2,1H3;2-3H2,1H3,(H,5,6);1-2H3.
What are the key properties of ethane;2-methyl-4,5-dihydro-1H-imidazole;1-methyl-2-phenylpyrrolidine?
ethane;2-methyl-4,5-dihydro-1H-imidazole;1-methyl-2-phenylpyrrolidine has a molecular weight of 275.44 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4,5-dihydro-1H-imidazole;1-methyl-2-phenylpyrrolidine is sourced from PubChem (CID 142986060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).