1,1-bis(1-methylimidazol-2-yl)-3,3-diphenylprop-2-en-1-ol

C23H22N4O — CID 171986160

IUPAC1,1-bis(1-methylimidazol-2-yl)-3,3-diphenylprop-2-en-1-ol
SMILESCn1ccnc1C(O)(C=C(c1ccccc1)c1ccccc1)c1nccn1C
InChIInChI=1S/C23H22N4O/c1-26-15-13-24-21(26)23(28,22-25-14-16-27(22)2)17-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-17,28H,1-2H3
InChIKeyRCAXDEBTFMHSFT-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.52
Rot. Bonds5

About 1,1-bis(1-methylimidazol-2-yl)-3,3-diphenylprop-2-en-1-ol

1,1-bis(1-methylimidazol-2-yl)-3,3-diphenylprop-2-en-1-ol (PubChem CID 171986160) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 1,1-bis(1-methylimidazol-2-yl)-3,3-diphenylprop-2-en-1-ol.

Molecular Properties

Compound Name1,1-bis(1-methylimidazol-2-yl)-3,3-diphenylprop-2-en-1-ol
PubChem CID171986160
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name1,1-bis(1-methylimidazol-2-yl)-3,3-diphenylprop-2-en-1-ol
SMILESCn1ccnc1C(O)(C=C(c1ccccc1)c1ccccc1)c1nccn1C
InChIInChI=1S/C23H22N4O/c1-26-15-13-24-21(26)23(28,22-25-14-16-27(22)2)17-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-17,28H,1-2H3
InChIKeyRCAXDEBTFMHSFT-UHFFFAOYSA-N
XLogP3.52
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(1-methylimidazol-2-yl)-3,3-diphenylprop-2-en-1-ol?
The IUPAC name of 1,1-bis(1-methylimidazol-2-yl)-3,3-diphenylprop-2-en-1-ol (CID 171986160) is 1,1-bis(1-methylimidazol-2-yl)-3,3-diphenylprop-2-en-1-ol.
What is the SMILES notation for 1,1-bis(1-methylimidazol-2-yl)-3,3-diphenylprop-2-en-1-ol?
The canonical SMILES for 1,1-bis(1-methylimidazol-2-yl)-3,3-diphenylprop-2-en-1-ol is Cn1ccnc1C(O)(C=C(c1ccccc1)c1ccccc1)c1nccn1C.
What is the InChIKey of 1,1-bis(1-methylimidazol-2-yl)-3,3-diphenylprop-2-en-1-ol?
The InChIKey is RCAXDEBTFMHSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-26-15-13-24-21(26)23(28,22-25-14-16-27(22)2)17-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-17,28H,1-2H3.
What are the key properties of 1,1-bis(1-methylimidazol-2-yl)-3,3-diphenylprop-2-en-1-ol?
1,1-bis(1-methylimidazol-2-yl)-3,3-diphenylprop-2-en-1-ol has a molecular weight of 370.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(1-methylimidazol-2-yl)-3,3-diphenylprop-2-en-1-ol is sourced from PubChem (CID 171986160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).