[1-[(2R)-2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]propyl]imidazol-2-yl]cyanamide

C23H24N4O2 — CID 10045809

IUPAC[1-[(2R)-2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]propyl]imidazol-2-yl]cyanamide
SMILESCOc1ccc([C@@H](C)Cn2ccnc2NC#N)cc1OC1Cc2ccccc2C1
InChIInChI=1S/C23H24N4O2/c1-16(14-27-10-9-25-23(27)26-15-24)17-7-8-21(28-2)22(13-17)29-20-11-18-5-3-4-6-19(18)12-20/h3-10,13,16,20H,11-12,14H2,1-2H3,(H,25,26)/t16-/m0/s1
InChIKeyISVRFRJMIDSUOC-INIZCTEOSA-N
MW388.47 g/mol
LogP4.13
Rot. Bonds7

About [1-[(2R)-2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]propyl]imidazol-2-yl]cyanamide

[1-[(2R)-2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]propyl]imidazol-2-yl]cyanamide (PubChem CID 10045809) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is [1-[(2R)-2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]propyl]imidazol-2-yl]cyanamide.

Molecular Properties

Compound Name[1-[(2R)-2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]propyl]imidazol-2-yl]cyanamide
PubChem CID10045809
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name[1-[(2R)-2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]propyl]imidazol-2-yl]cyanamide
SMILESCOc1ccc([C@@H](C)Cn2ccnc2NC#N)cc1OC1Cc2ccccc2C1
InChIInChI=1S/C23H24N4O2/c1-16(14-27-10-9-25-23(27)26-15-24)17-7-8-21(28-2)22(13-17)29-20-11-18-5-3-4-6-19(18)12-20/h3-10,13,16,20H,11-12,14H2,1-2H3,(H,25,26)/t16-/m0/s1
InChIKeyISVRFRJMIDSUOC-INIZCTEOSA-N
XLogP4.13
TPSA72.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze [1-[(2R)-2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]propyl]imidazol-2-yl]cyanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(2R)-2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]propyl]imidazol-2-yl]cyanamide?
The IUPAC name of [1-[(2R)-2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]propyl]imidazol-2-yl]cyanamide (CID 10045809) is [1-[(2R)-2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]propyl]imidazol-2-yl]cyanamide.
What is the SMILES notation for [1-[(2R)-2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]propyl]imidazol-2-yl]cyanamide?
The canonical SMILES for [1-[(2R)-2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]propyl]imidazol-2-yl]cyanamide is COc1ccc([C@@H](C)Cn2ccnc2NC#N)cc1OC1Cc2ccccc2C1.
What is the InChIKey of [1-[(2R)-2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]propyl]imidazol-2-yl]cyanamide?
The InChIKey is ISVRFRJMIDSUOC-INIZCTEOSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16(14-27-10-9-25-23(27)26-15-24)17-7-8-21(28-2)22(13-17)29-20-11-18-5-3-4-6-19(18)12-20/h3-10,13,16,20H,11-12,14H2,1-2H3,(H,25,26)/t16-/m0/s1.
What are the key properties of [1-[(2R)-2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]propyl]imidazol-2-yl]cyanamide?
[1-[(2R)-2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]propyl]imidazol-2-yl]cyanamide has a molecular weight of 388.47 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R)-2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]propyl]imidazol-2-yl]cyanamide is sourced from PubChem (CID 10045809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).