5-(2-butyl-1H-imidazol-5-yl)-1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-4-phenylimidazole

C23H31N5 — CID 95123103

IUPAC5-(2-butyl-1H-imidazol-5-yl)-1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-4-phenylimidazole
SMILESCCCCc1ncc(-c2c(-c3ccccc3)ncn2CC[C@@H]2CCCN2C)[nH]1
InChIInChI=1S/C23H31N5/c1-3-4-12-21-24-16-20(26-21)23-22(18-9-6-5-7-10-18)25-17-28(23)15-13-19-11-8-14-27(19)2/h5-7,9-10,16-17,19H,3-4,8,11-15H2,1-2H3,(H,24,26)/t19-/m0/s1
InChIKeyDLWSGPJMWKYEFH-IBGZPJMESA-N
MW377.54 g/mol
LogP4.77
Rot. Bonds8

About 5-(2-butyl-1H-imidazol-5-yl)-1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-4-phenylimidazole

5-(2-butyl-1H-imidazol-5-yl)-1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-4-phenylimidazole (PubChem CID 95123103) has the molecular formula C23H31N5 and a molecular weight of 377.54 g/mol. Its IUPAC name is 5-(2-butyl-1H-imidazol-5-yl)-1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-4-phenylimidazole.

Molecular Properties

Compound Name5-(2-butyl-1H-imidazol-5-yl)-1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-4-phenylimidazole
PubChem CID95123103
Molecular FormulaC23H31N5
Molecular Weight377.54 g/mol
Exact Mass377.26
IUPAC Name5-(2-butyl-1H-imidazol-5-yl)-1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-4-phenylimidazole
SMILESCCCCc1ncc(-c2c(-c3ccccc3)ncn2CC[C@@H]2CCCN2C)[nH]1
InChIInChI=1S/C23H31N5/c1-3-4-12-21-24-16-20(26-21)23-22(18-9-6-5-7-10-18)25-17-28(23)15-13-19-11-8-14-27(19)2/h5-7,9-10,16-17,19H,3-4,8,11-15H2,1-2H3,(H,24,26)/t19-/m0/s1
InChIKeyDLWSGPJMWKYEFH-IBGZPJMESA-N
XLogP4.77
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-butyl-1H-imidazol-5-yl)-1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-4-phenylimidazole?
The IUPAC name of 5-(2-butyl-1H-imidazol-5-yl)-1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-4-phenylimidazole (CID 95123103) is 5-(2-butyl-1H-imidazol-5-yl)-1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-4-phenylimidazole.
What is the SMILES notation for 5-(2-butyl-1H-imidazol-5-yl)-1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-4-phenylimidazole?
The canonical SMILES for 5-(2-butyl-1H-imidazol-5-yl)-1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-4-phenylimidazole is CCCCc1ncc(-c2c(-c3ccccc3)ncn2CC[C@@H]2CCCN2C)[nH]1.
What is the InChIKey of 5-(2-butyl-1H-imidazol-5-yl)-1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-4-phenylimidazole?
The InChIKey is DLWSGPJMWKYEFH-IBGZPJMESA-N. The full InChI is InChI=1S/C23H31N5/c1-3-4-12-21-24-16-20(26-21)23-22(18-9-6-5-7-10-18)25-17-28(23)15-13-19-11-8-14-27(19)2/h5-7,9-10,16-17,19H,3-4,8,11-15H2,1-2H3,(H,24,26)/t19-/m0/s1.
What are the key properties of 5-(2-butyl-1H-imidazol-5-yl)-1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-4-phenylimidazole?
5-(2-butyl-1H-imidazol-5-yl)-1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-4-phenylimidazole has a molecular weight of 377.54 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butyl-1H-imidazol-5-yl)-1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-4-phenylimidazole is sourced from PubChem (CID 95123103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).