3-[3-[(4-amino-2-phenylphenyl)methyl]imidazol-4-yl]propan-1-ol

C19H21N3O — CID 88987713

IUPAC3-[3-[(4-amino-2-phenylphenyl)methyl]imidazol-4-yl]propan-1-ol
SMILESNc1ccc(Cn2cncc2CCCO)c(-c2ccccc2)c1
InChIInChI=1S/C19H21N3O/c20-17-9-8-16(19(11-17)15-5-2-1-3-6-15)13-22-14-21-12-18(22)7-4-10-23/h1-3,5-6,8-9,11-12,14,23H,4,7,10,13,20H2
InChIKeyZWAQGKUYPVUTHB-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.11
Rot. Bonds6

About 3-[3-[(4-amino-2-phenylphenyl)methyl]imidazol-4-yl]propan-1-ol

3-[3-[(4-amino-2-phenylphenyl)methyl]imidazol-4-yl]propan-1-ol (PubChem CID 88987713) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-[3-[(4-amino-2-phenylphenyl)methyl]imidazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-[(4-amino-2-phenylphenyl)methyl]imidazol-4-yl]propan-1-ol
PubChem CID88987713
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name3-[3-[(4-amino-2-phenylphenyl)methyl]imidazol-4-yl]propan-1-ol
SMILESNc1ccc(Cn2cncc2CCCO)c(-c2ccccc2)c1
InChIInChI=1S/C19H21N3O/c20-17-9-8-16(19(11-17)15-5-2-1-3-6-15)13-22-14-21-12-18(22)7-4-10-23/h1-3,5-6,8-9,11-12,14,23H,4,7,10,13,20H2
InChIKeyZWAQGKUYPVUTHB-UHFFFAOYSA-N
XLogP3.11
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-amino-2-phenylphenyl)methyl]imidazol-4-yl]propan-1-ol?
The IUPAC name of 3-[3-[(4-amino-2-phenylphenyl)methyl]imidazol-4-yl]propan-1-ol (CID 88987713) is 3-[3-[(4-amino-2-phenylphenyl)methyl]imidazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[3-[(4-amino-2-phenylphenyl)methyl]imidazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[3-[(4-amino-2-phenylphenyl)methyl]imidazol-4-yl]propan-1-ol is Nc1ccc(Cn2cncc2CCCO)c(-c2ccccc2)c1.
What is the InChIKey of 3-[3-[(4-amino-2-phenylphenyl)methyl]imidazol-4-yl]propan-1-ol?
The InChIKey is ZWAQGKUYPVUTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c20-17-9-8-16(19(11-17)15-5-2-1-3-6-15)13-22-14-21-12-18(22)7-4-10-23/h1-3,5-6,8-9,11-12,14,23H,4,7,10,13,20H2.
What are the key properties of 3-[3-[(4-amino-2-phenylphenyl)methyl]imidazol-4-yl]propan-1-ol?
3-[3-[(4-amino-2-phenylphenyl)methyl]imidazol-4-yl]propan-1-ol has a molecular weight of 307.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-amino-2-phenylphenyl)methyl]imidazol-4-yl]propan-1-ol is sourced from PubChem (CID 88987713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).