1-(naphthalen-1-ylmethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole

C18H19N3 — CID 104942995

IUPAC1-(naphthalen-1-ylmethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESc1ccc2c(Cn3cncc3[C@@H]3CCCN3)cccc2c1
InChIInChI=1S/C18H19N3/c1-2-8-16-14(5-1)6-3-7-15(16)12-21-13-19-11-18(21)17-9-4-10-20-17/h1-3,5-8,11,13,17,20H,4,9-10,12H2/t17-/m0/s1
InChIKeyCUASPRFJHATUEN-KRWDZBQOSA-N
MW277.37 g/mol
LogP3.51
Rot. Bonds3

About 1-(naphthalen-1-ylmethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole

1-(naphthalen-1-ylmethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole (PubChem CID 104942995) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
PubChem CID104942995
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name1-(naphthalen-1-ylmethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESc1ccc2c(Cn3cncc3[C@@H]3CCCN3)cccc2c1
InChIInChI=1S/C18H19N3/c1-2-8-16-14(5-1)6-3-7-15(16)12-21-13-19-11-18(21)17-9-4-10-20-17/h1-3,5-8,11,13,17,20H,4,9-10,12H2/t17-/m0/s1
InChIKeyCUASPRFJHATUEN-KRWDZBQOSA-N
XLogP3.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine
CID 104942141
2-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114706613
1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole
CID 114702895
1-[(4-methoxyphenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941677
1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082
1-[2-(furan-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942485
1-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole
CID 114704435
5-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]-1,2-oxazole
CID 106422527
5-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]-1,2-oxazole
CID 106422518
2-[3-(3-phenoxypropyl)imidazol-4-yl]piperidine
CID 114705821
1-(2-phenylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943849
1-[(3-nitrophenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942894

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The IUPAC name of 1-(naphthalen-1-ylmethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole (CID 104942995) is 1-(naphthalen-1-ylmethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole is c1ccc2c(Cn3cncc3[C@@H]3CCCN3)cccc2c1.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The InChIKey is CUASPRFJHATUEN-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-8-16-14(5-1)6-3-7-15(16)12-21-13-19-11-18(21)17-9-4-10-20-17/h1-3,5-8,11,13,17,20H,4,9-10,12H2/t17-/m0/s1.
What are the key properties of 1-(naphthalen-1-ylmethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
1-(naphthalen-1-ylmethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole has a molecular weight of 277.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole is sourced from PubChem (CID 104942995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).