1,2-dimethyl-4-[1-[4-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole;formic acid

C20H24N4O4 — CID 155938206

IUPAC1,2-dimethyl-4-[1-[4-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole;formic acid
SMILESCc1nc(-c2nccn2-c2ccc(OCC3CCCO3)cc2)cn1C.O=CO
InChIInChI=1S/C19H22N4O2.CH2O2/c1-14-21-18(12-22(14)2)19-20-9-10-23(19)15-5-7-16(8-6-15)25-13-17-4-3-11-24-17;2-1-3/h5-10,12,17H,3-4,11,13H2,1-2H3;1H,(H,2,3)
InChIKeyGPDGBFWKKGIEEN-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.84
Rot. Bonds5

About 1,2-dimethyl-4-[1-[4-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole;formic acid

1,2-dimethyl-4-[1-[4-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole;formic acid (PubChem CID 155938206) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1,2-dimethyl-4-[1-[4-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole;formic acid.

Molecular Properties

Compound Name1,2-dimethyl-4-[1-[4-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole;formic acid
PubChem CID155938206
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name1,2-dimethyl-4-[1-[4-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole;formic acid
SMILESCc1nc(-c2nccn2-c2ccc(OCC3CCCO3)cc2)cn1C.O=CO
InChIInChI=1S/C19H22N4O2.CH2O2/c1-14-21-18(12-22(14)2)19-20-9-10-23(19)15-5-7-16(8-6-15)25-13-17-4-3-11-24-17;2-1-3/h5-10,12,17H,3-4,11,13H2,1-2H3;1H,(H,2,3)
InChIKeyGPDGBFWKKGIEEN-UHFFFAOYSA-N
XLogP2.84
TPSA91.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1,2,4-triazole
CID 95127690
1-methyl-3-[4-[4-(oxan-2-ylmethoxy)phenyl]phenoxy]pyrazin-2-one
CID 138039169
[(2R)-oxolan-2-yl]methyl 4-[(1-methylimidazol-2-yl)methoxy]benzoate
CID 97185490
1-methyl-5-[1-[2-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole
CID 56710746
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
1-methyl-4-(oxolan-2-ylmethoxy)pyrazole
CID 116794075
4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 54846599
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43214097
4-(oxolan-2-ylmethoxy)-N-(4-pyrazol-1-ylphenyl)benzamide
CID 86930592
2-(cyclopropylmethylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119712735
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-[1-[4-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole;formic acid?
The IUPAC name of 1,2-dimethyl-4-[1-[4-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole;formic acid (CID 155938206) is 1,2-dimethyl-4-[1-[4-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole;formic acid.
What is the SMILES notation for 1,2-dimethyl-4-[1-[4-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole;formic acid?
The canonical SMILES for 1,2-dimethyl-4-[1-[4-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole;formic acid is Cc1nc(-c2nccn2-c2ccc(OCC3CCCO3)cc2)cn1C.O=CO.
What is the InChIKey of 1,2-dimethyl-4-[1-[4-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole;formic acid?
The InChIKey is GPDGBFWKKGIEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2.CH2O2/c1-14-21-18(12-22(14)2)19-20-9-10-23(19)15-5-7-16(8-6-15)25-13-17-4-3-11-24-17;2-1-3/h5-10,12,17H,3-4,11,13H2,1-2H3;1H,(H,2,3).
What are the key properties of 1,2-dimethyl-4-[1-[4-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole;formic acid?
1,2-dimethyl-4-[1-[4-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole;formic acid has a molecular weight of 384.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-[1-[4-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole;formic acid is sourced from PubChem (CID 155938206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).