2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-naphthalen-2-yl-1H-imidazole

C18H19N3 — CID 141299520

IUPAC2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-naphthalen-2-yl-1H-imidazole
SMILESC[C@H]1CC[C@@H](c2ncc(-c3ccc4ccccc4c3)[nH]2)N1
InChIInChI=1S/C18H19N3/c1-12-6-9-16(20-12)18-19-11-17(21-18)15-8-7-13-4-2-3-5-14(13)10-15/h2-5,7-8,10-12,16,20H,6,9H2,1H3,(H,19,21)/t12-,16-/m0/s1
InChIKeyAMXUDRIVYABAHG-LRDDRELGSA-N
MW277.37 g/mol
LogP4.04
Rot. Bonds2

About 2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-naphthalen-2-yl-1H-imidazole

2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-naphthalen-2-yl-1H-imidazole (PubChem CID 141299520) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-naphthalen-2-yl-1H-imidazole.

Molecular Properties

Compound Name2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-naphthalen-2-yl-1H-imidazole
PubChem CID141299520
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-naphthalen-2-yl-1H-imidazole
SMILESC[C@H]1CC[C@@H](c2ncc(-c3ccc4ccccc4c3)[nH]2)N1
InChIInChI=1S/C18H19N3/c1-12-6-9-16(20-12)18-19-11-17(21-18)15-8-7-13-4-2-3-5-14(13)10-15/h2-5,7-8,10-12,16,20H,6,9H2,1H3,(H,19,21)/t12-,16-/m0/s1
InChIKeyAMXUDRIVYABAHG-LRDDRELGSA-N
XLogP4.04
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5S)-4,5-dimethylpyrrolidin-2-yl]-5-[4-[4-[2-(5-methylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole
CID 90151746
5-chloro-2-[(2S,5S)-5-methylpyrrolidin-2-yl]-4-[4-[4-[2-[(2S,5S)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole
CID 70673370
5-naphthalen-2-yl-2-phenyl-1H-imidazole
CID 10038778
(1R,3S)-3-[5-[4-[6-[2-[(1R,3S)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane
CID 154194213
(1S,3S,5S)-3-[5-[4-[6-[2-[(1S,3S,5S)-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexane
CID 66982445
2-[2-[(2S,5R)-5-methylpyrrolidin-2-yl]-3H-benzimidazol-5-yl]-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxaline
CID 147367127
2-tert-butyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)morpholine
CID 146449602
4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-oxopiperazine-1-carboxylic acid
CID 135151525
1-(5-naphthalen-2-yl-1H-imidazol-2-yl)propan-2-amine
CID 60842671
5-[3-naphthalen-2-yl-4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]buta-1,3-diynyl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 126669833
1-[4-(cyclopropylmethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 155796174
tert-butyl 2-methyl-5-[5-[4-[4-[2-(5-methylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 143848551

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-naphthalen-2-yl-1H-imidazole?
The IUPAC name of 2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-naphthalen-2-yl-1H-imidazole (CID 141299520) is 2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-naphthalen-2-yl-1H-imidazole.
What is the SMILES notation for 2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-naphthalen-2-yl-1H-imidazole?
The canonical SMILES for 2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-naphthalen-2-yl-1H-imidazole is C[C@H]1CC[C@@H](c2ncc(-c3ccc4ccccc4c3)[nH]2)N1.
What is the InChIKey of 2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-naphthalen-2-yl-1H-imidazole?
The InChIKey is AMXUDRIVYABAHG-LRDDRELGSA-N. The full InChI is InChI=1S/C18H19N3/c1-12-6-9-16(20-12)18-19-11-17(21-18)15-8-7-13-4-2-3-5-14(13)10-15/h2-5,7-8,10-12,16,20H,6,9H2,1H3,(H,19,21)/t12-,16-/m0/s1.
What are the key properties of 2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-naphthalen-2-yl-1H-imidazole?
2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-naphthalen-2-yl-1H-imidazole has a molecular weight of 277.37 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-naphthalen-2-yl-1H-imidazole is sourced from PubChem (CID 141299520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).