2-butyl-5-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1H-imidazole

C16H24N4O2 — CID 70754992

IUPAC2-butyl-5-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1H-imidazole
SMILESCCCCc1ncc(-c2nccn2[C@H]2COC[C@@H]2OCC)[nH]1
InChIInChI=1S/C16H24N4O2/c1-3-5-6-15-18-9-12(19-15)16-17-7-8-20(16)13-10-21-11-14(13)22-4-2/h7-9,13-14H,3-6,10-11H2,1-2H3,(H,18,19)/t13-,14-/m0/s1
InChIKeyIIXTWKVAGMXNJQ-KBPBESRZSA-N
MW304.39 g/mol
LogP2.59
Rot. Bonds7

About 2-butyl-5-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1H-imidazole

2-butyl-5-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1H-imidazole (PubChem CID 70754992) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-butyl-5-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1H-imidazole.

Molecular Properties

Compound Name2-butyl-5-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1H-imidazole
PubChem CID70754992
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-butyl-5-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1H-imidazole
SMILESCCCCc1ncc(-c2nccn2[C@H]2COC[C@@H]2OCC)[nH]1
InChIInChI=1S/C16H24N4O2/c1-3-5-6-15-18-9-12(19-15)16-17-7-8-20(16)13-10-21-11-14(13)22-4-2/h7-9,13-14H,3-6,10-11H2,1-2H3,(H,18,19)/t13-,14-/m0/s1
InChIKeyIIXTWKVAGMXNJQ-KBPBESRZSA-N
XLogP2.59
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2'-ethyl-5'-methyl-1-(tetrahydro-2H-pyran-2-ylmethyl)-1H,3'H-2,4'-biimidazole
CID 56868611
1-(2-methoxyethyl)-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56873208
5'-methyl-1-{3-[(1-methylpiperidin-4-yl)oxy]propyl}-1H,3'H-2,4'-biimidazole
CID 70777526
1'-(2-Deoxy-|A-D-erythro-pentofuranosyl)[2,4'-bi-1H-imidazol]-5'-amine
CID 11129206
1-[(2S)-tetrahydrofuran-2-ylmethyl]-1H,1'H-2,4'-biimidazole
CID 70762846
1-[(2S)-2-[[2-(2-butyl-1H-imidazol-5-yl)imidazol-1-yl]methyl]morpholin-4-yl]ethanone
CID 96400613
(2R,3R,4S,5R)-2-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 15931427
2-[(2S,4R)-4-methoxy-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-4,5-dimethyl-1H-imidazole
CID 132330253
2-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 304508
2'-butyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H,1'H-2,4'-biimidazole
CID 56760216
(2R,3S,5S)-5-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 69620664
(2R,3R,5R)-5-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 71221842

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1H-imidazole?
The IUPAC name of 2-butyl-5-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1H-imidazole (CID 70754992) is 2-butyl-5-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1H-imidazole.
What is the SMILES notation for 2-butyl-5-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1H-imidazole?
The canonical SMILES for 2-butyl-5-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1H-imidazole is CCCCc1ncc(-c2nccn2[C@H]2COC[C@@H]2OCC)[nH]1.
What is the InChIKey of 2-butyl-5-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1H-imidazole?
The InChIKey is IIXTWKVAGMXNJQ-KBPBESRZSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-3-5-6-15-18-9-12(19-15)16-17-7-8-20(16)13-10-21-11-14(13)22-4-2/h7-9,13-14H,3-6,10-11H2,1-2H3,(H,18,19)/t13-,14-/m0/s1.
What are the key properties of 2-butyl-5-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1H-imidazole?
2-butyl-5-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1H-imidazole has a molecular weight of 304.39 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1H-imidazole is sourced from PubChem (CID 70754992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).