2-[(2S)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-methylpyrimidine

C18H18FN5 — CID 95635150

IUPAC2-[(2S)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-methylpyrimidine
SMILESCc1ccnc(N2CCC[C@H]2c2ncc(-c3ccccc3F)[nH]2)n1
InChIInChI=1S/C18H18FN5/c1-12-8-9-20-18(22-12)24-10-4-7-16(24)17-21-11-15(23-17)13-5-2-3-6-14(13)19/h2-3,5-6,8-9,11,16H,4,7,10H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyZZYLBIWLDLMRSM-INIZCTEOSA-N
MW323.38 g/mol
LogP3.66
Rot. Bonds3

About 2-[(2S)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-methylpyrimidine

2-[(2S)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-methylpyrimidine (PubChem CID 95635150) has the molecular formula C18H18FN5 and a molecular weight of 323.38 g/mol. Its IUPAC name is 2-[(2S)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[(2S)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-methylpyrimidine
PubChem CID95635150
Molecular FormulaC18H18FN5
Molecular Weight323.38 g/mol
Exact Mass323.15
IUPAC Name2-[(2S)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-methylpyrimidine
SMILESCc1ccnc(N2CCC[C@H]2c2ncc(-c3ccccc3F)[nH]2)n1
InChIInChI=1S/C18H18FN5/c1-12-8-9-20-18(22-12)24-10-4-7-16(24)17-21-11-15(23-17)13-5-2-3-6-14(13)19/h2-3,5-6,8-9,11,16H,4,7,10H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyZZYLBIWLDLMRSM-INIZCTEOSA-N
XLogP3.66
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-methylpyrimidine?
The IUPAC name of 2-[(2S)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-methylpyrimidine (CID 95635150) is 2-[(2S)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-methylpyrimidine.
What is the SMILES notation for 2-[(2S)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-methylpyrimidine?
The canonical SMILES for 2-[(2S)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-methylpyrimidine is Cc1ccnc(N2CCC[C@H]2c2ncc(-c3ccccc3F)[nH]2)n1.
What is the InChIKey of 2-[(2S)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-methylpyrimidine?
The InChIKey is ZZYLBIWLDLMRSM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18FN5/c1-12-8-9-20-18(22-12)24-10-4-7-16(24)17-21-11-15(23-17)13-5-2-3-6-14(13)19/h2-3,5-6,8-9,11,16H,4,7,10H2,1H3,(H,21,23)/t16-/m0/s1.
What are the key properties of 2-[(2S)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-methylpyrimidine?
2-[(2S)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-methylpyrimidine has a molecular weight of 323.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-methylpyrimidine is sourced from PubChem (CID 95635150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).