1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine

C16H19N5 — CID 43435620

IUPAC1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine
SMILESCC(Cn1ccnc1)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H19N5/c1-14(11-20-8-6-17-12-20)19-10-15-2-4-16(5-3-15)21-9-7-18-13-21/h2-9,12-14,19H,10-11H2,1H3
InChIKeyWGXOKMUKEYYJAB-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.25
Rot. Bonds6

About 1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine

1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine (PubChem CID 43435620) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine
PubChem CID43435620
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine
SMILESCC(Cn1ccnc1)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H19N5/c1-14(11-20-8-6-17-12-20)19-10-15-2-4-16(5-3-15)21-9-7-18-13-21/h2-9,12-14,19H,10-11H2,1H3
InChIKeyWGXOKMUKEYYJAB-UHFFFAOYSA-N
XLogP2.25
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-imidazol-1-ylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 86854994
1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 43435582
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol
CID 43435560
N-[(4-imidazol-1-ylphenyl)methyl]-4-methylpentan-2-amine
CID 43775713
N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 79979507
N-[(4-imidazol-1-ylphenyl)methyl]hexan-2-amine
CID 62200953
N-[(4-imidazol-1-ylphenyl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640008
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzamide
CID 43792002
N-[(4-imidazol-1-ylphenyl)methyl]-3-methylbutan-1-amine
CID 43220439
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-imidazol-1-ylpropan-2-amine
CID 56703534
(2S)-N-[(3-bromo-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 51683999
N-[(4-imidazol-1-ylphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43222075

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine?
The IUPAC name of 1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine (CID 43435620) is 1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine?
The canonical SMILES for 1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine is CC(Cn1ccnc1)NCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine?
The InChIKey is WGXOKMUKEYYJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-14(11-20-8-6-17-12-20)19-10-15-2-4-16(5-3-15)21-9-7-18-13-21/h2-9,12-14,19H,10-11H2,1H3.
What are the key properties of 1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine?
1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine has a molecular weight of 281.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 43435620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).