N-[(3-imidazol-1-ylphenyl)methyl]-5-(3-methylphenyl)-2,3-dihydro-1H-inden-2-amine

C26H25N3 — CID 44527932

IUPACN-[(3-imidazol-1-ylphenyl)methyl]-5-(3-methylphenyl)-2,3-dihydro-1H-inden-2-amine
SMILESCc1cccc(-c2ccc3c(c2)CC(NCc2cccc(-n4ccnc4)c2)C3)c1
InChIInChI=1S/C26H25N3/c1-19-4-2-6-21(12-19)22-8-9-23-15-25(16-24(23)14-22)28-17-20-5-3-7-26(13-20)29-11-10-27-18-29/h2-14,18,25,28H,15-17H2,1H3
InChIKeyIJDGHIVUTVIUKD-UHFFFAOYSA-N
MW379.51 g/mol
LogP5.10
Rot. Bonds5

About N-[(3-imidazol-1-ylphenyl)methyl]-5-(3-methylphenyl)-2,3-dihydro-1H-inden-2-amine

N-[(3-imidazol-1-ylphenyl)methyl]-5-(3-methylphenyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 44527932) has the molecular formula C26H25N3 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[(3-imidazol-1-ylphenyl)methyl]-5-(3-methylphenyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[(3-imidazol-1-ylphenyl)methyl]-5-(3-methylphenyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID44527932
Molecular FormulaC26H25N3
Molecular Weight379.51 g/mol
Exact Mass379.20
IUPAC NameN-[(3-imidazol-1-ylphenyl)methyl]-5-(3-methylphenyl)-2,3-dihydro-1H-inden-2-amine
SMILESCc1cccc(-c2ccc3c(c2)CC(NCc2cccc(-n4ccnc4)c2)C3)c1
InChIInChI=1S/C26H25N3/c1-19-4-2-6-21(12-19)22-8-9-23-15-25(16-24(23)14-22)28-17-20-5-3-7-26(13-20)29-11-10-27-18-29/h2-14,18,25,28H,15-17H2,1H3
InChIKeyIJDGHIVUTVIUKD-UHFFFAOYSA-N
XLogP5.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-imidazol-1-ylphenyl)methyl]-5-(3-methylphenyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[(3-imidazol-1-ylphenyl)methyl]-5-(3-methylphenyl)-2,3-dihydro-1H-inden-2-amine (CID 44527932) is N-[(3-imidazol-1-ylphenyl)methyl]-5-(3-methylphenyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[(3-imidazol-1-ylphenyl)methyl]-5-(3-methylphenyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[(3-imidazol-1-ylphenyl)methyl]-5-(3-methylphenyl)-2,3-dihydro-1H-inden-2-amine is Cc1cccc(-c2ccc3c(c2)CC(NCc2cccc(-n4ccnc4)c2)C3)c1.
What is the InChIKey of N-[(3-imidazol-1-ylphenyl)methyl]-5-(3-methylphenyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is IJDGHIVUTVIUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3/c1-19-4-2-6-21(12-19)22-8-9-23-15-25(16-24(23)14-22)28-17-20-5-3-7-26(13-20)29-11-10-27-18-29/h2-14,18,25,28H,15-17H2,1H3.
What are the key properties of N-[(3-imidazol-1-ylphenyl)methyl]-5-(3-methylphenyl)-2,3-dihydro-1H-inden-2-amine?
N-[(3-imidazol-1-ylphenyl)methyl]-5-(3-methylphenyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 379.51 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-imidazol-1-ylphenyl)methyl]-5-(3-methylphenyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 44527932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).