2-[(1S)-1-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-3-methylpyridine

C23H25N5 — CID 50955325

IUPAC2-[(1S)-1-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-3-methylpyridine
SMILESCCc1nc(-c2c(-c3ccccc3)ncn2[C@@H](C)c2ncccc2C)c(C)[nH]1
InChIInChI=1S/C23H25N5/c1-5-19-26-16(3)21(27-19)23-22(18-11-7-6-8-12-18)25-14-28(23)17(4)20-15(2)10-9-13-24-20/h6-14,17H,5H2,1-4H3,(H,26,27)/t17-/m0/s1
InChIKeyCEPLTCOLBRVZBV-KRWDZBQOSA-N
MW371.49 g/mol
LogP5.12
Rot. Bonds5

About 2-[(1S)-1-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-3-methylpyridine

2-[(1S)-1-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-3-methylpyridine (PubChem CID 50955325) has the molecular formula C23H25N5 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-[(1S)-1-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[(1S)-1-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-3-methylpyridine
PubChem CID50955325
Molecular FormulaC23H25N5
Molecular Weight371.49 g/mol
Exact Mass371.21
IUPAC Name2-[(1S)-1-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-3-methylpyridine
SMILESCCc1nc(-c2c(-c3ccccc3)ncn2[C@@H](C)c2ncccc2C)c(C)[nH]1
InChIInChI=1S/C23H25N5/c1-5-19-26-16(3)21(27-19)23-22(18-11-7-6-8-12-18)25-14-28(23)17(4)20-15(2)10-9-13-24-20/h6-14,17H,5H2,1-4H3,(H,26,27)/t17-/m0/s1
InChIKeyCEPLTCOLBRVZBV-KRWDZBQOSA-N
XLogP5.12
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.49
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[(1R)-3-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]butyl]pyridine
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3-[1-[5-(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-3-methylpyridine?
The IUPAC name of 2-[(1S)-1-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-3-methylpyridine (CID 50955325) is 2-[(1S)-1-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-3-methylpyridine.
What is the SMILES notation for 2-[(1S)-1-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-3-methylpyridine?
The canonical SMILES for 2-[(1S)-1-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-3-methylpyridine is CCc1nc(-c2c(-c3ccccc3)ncn2[C@@H](C)c2ncccc2C)c(C)[nH]1.
What is the InChIKey of 2-[(1S)-1-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-3-methylpyridine?
The InChIKey is CEPLTCOLBRVZBV-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H25N5/c1-5-19-26-16(3)21(27-19)23-22(18-11-7-6-8-12-18)25-14-28(23)17(4)20-15(2)10-9-13-24-20/h6-14,17H,5H2,1-4H3,(H,26,27)/t17-/m0/s1.
What are the key properties of 2-[(1S)-1-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-3-methylpyridine?
2-[(1S)-1-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-3-methylpyridine has a molecular weight of 371.49 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-3-methylpyridine is sourced from PubChem (CID 50955325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).