tert-butyl (2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate

C23H27N3O2 — CID 58315843

IUPACtert-butyl (2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
SMILESCc1ccc(-c2cnc([C@@H]3CCCN3C(=O)OC(C)(C)C)[nH]2)c2ccccc12
InChIInChI=1S/C23H27N3O2/c1-15-11-12-18(17-9-6-5-8-16(15)17)19-14-24-21(25-19)20-10-7-13-26(20)22(27)28-23(2,3)4/h5-6,8-9,11-12,14,20H,7,10,13H2,1-4H3,(H,24,25)/t20-/m0/s1
InChIKeyKYVNEUWVBSHAQF-FQEVSTJZSA-N
MW377.49 g/mol
LogP5.61
Rot. Bonds2

About tert-butyl (2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate

tert-butyl (2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate (PubChem CID 58315843) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is tert-butyl (2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
PubChem CID58315843
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Nametert-butyl (2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
SMILESCc1ccc(-c2cnc([C@@H]3CCCN3C(=O)OC(C)(C)C)[nH]2)c2ccccc12
InChIInChI=1S/C23H27N3O2/c1-15-11-12-18(17-9-6-5-8-16(15)17)19-14-24-21(25-19)20-10-7-13-26(20)22(27)28-23(2,3)4/h5-6,8-9,11-12,14,20H,7,10,13H2,1-4H3,(H,24,25)/t20-/m0/s1
InChIKeyKYVNEUWVBSHAQF-FQEVSTJZSA-N
XLogP5.61
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[5-(2-bromophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 67517415
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tert-butyl (2S)-2-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
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tert-butyl (2S)-2-[5-[3-formyl-4-[2-formyl-4-[2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 87425345
tert-butyl (2S)-2-[5-[6-methyl-3-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-5,7-dihydrobenzo[d][2]benzazepin-9-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
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tert-butyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;hydrobromide
CID 66720422
(2S)-2-[5-[3-[3-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 68608639
tert-butyl 2-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
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tert-butyl 2-[5-[4-(5-bromopyrimidin-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
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tert-butyl (2S)-2-(5-dibenzo-p-dioxin-2-yl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
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tert-butyl (2S)-2-[5-[4-[2-methyl-4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-phenylphenyl]buta-1,3-dienyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 142771667
tert-butyl (2S)-2-[5-[5-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-1-yl]-1H-imidazol-2-yl]-3,4-dihydro-2H-pyrrol-1-ium-1-carboxylate
CID 123776452

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate (CID 58315843) is tert-butyl (2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate is Cc1ccc(-c2cnc([C@@H]3CCCN3C(=O)OC(C)(C)C)[nH]2)c2ccccc12.
What is the InChIKey of tert-butyl (2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is KYVNEUWVBSHAQF-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-15-11-12-18(17-9-6-5-8-16(15)17)19-14-24-21(25-19)20-10-7-13-26(20)22(27)28-23(2,3)4/h5-6,8-9,11-12,14,20H,7,10,13H2,1-4H3,(H,24,25)/t20-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 377.49 g/mol, XLogP of 5.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[5-(4-methylnaphthalen-1-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 58315843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).