3-[5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenylimidazol-1-yl]propan-1-ol

C22H24N2O2 — CID 50962300

IUPAC3-[5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenylimidazol-1-yl]propan-1-ol
SMILESCOc1cc2c(cc1-c1c(-c3ccccc3)ncn1CCCO)CCC2
InChIInChI=1S/C22H24N2O2/c1-26-20-14-18-10-5-9-17(18)13-19(20)22-21(16-7-3-2-4-8-16)23-15-24(22)11-6-12-25/h2-4,7-8,13-15,25H,5-6,9-12H2,1H3
InChIKeyWUNAWCUGCILSAE-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.10
Rot. Bonds6

About 3-[5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenylimidazol-1-yl]propan-1-ol

3-[5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenylimidazol-1-yl]propan-1-ol (PubChem CID 50962300) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-[5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenylimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenylimidazol-1-yl]propan-1-ol
PubChem CID50962300
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name3-[5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenylimidazol-1-yl]propan-1-ol
SMILESCOc1cc2c(cc1-c1c(-c3ccccc3)ncn1CCCO)CCC2
InChIInChI=1S/C22H24N2O2/c1-26-20-14-18-10-5-9-17(18)13-19(20)22-21(16-7-3-2-4-8-16)23-15-24(22)11-6-12-25/h2-4,7-8,13-15,25H,5-6,9-12H2,1H3
InChIKeyWUNAWCUGCILSAE-UHFFFAOYSA-N
XLogP4.10
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenylimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenylimidazol-1-yl]propan-1-ol (CID 50962300) is 3-[5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenylimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenylimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenylimidazol-1-yl]propan-1-ol is COc1cc2c(cc1-c1c(-c3ccccc3)ncn1CCCO)CCC2.
What is the InChIKey of 3-[5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenylimidazol-1-yl]propan-1-ol?
The InChIKey is WUNAWCUGCILSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-26-20-14-18-10-5-9-17(18)13-19(20)22-21(16-7-3-2-4-8-16)23-15-24(22)11-6-12-25/h2-4,7-8,13-15,25H,5-6,9-12H2,1H3.
What are the key properties of 3-[5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenylimidazol-1-yl]propan-1-ol?
3-[5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenylimidazol-1-yl]propan-1-ol has a molecular weight of 348.45 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenylimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 50962300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).