3-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]aniline

C16H19N5 — CID 66130531

IUPAC3-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1cccc(-n2ccnc2)c1
InChIInChI=1S/C16H19N5/c1-2-7-20-13-18-10-16(20)11-19-14-4-3-5-15(9-14)21-8-6-17-12-21/h3-6,8-10,12-13,19H,2,7,11H2,1H3
InChIKeyLMBAGZRTHYOFKM-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.09
Rot. Bonds6

About 3-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]aniline

3-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]aniline (PubChem CID 66130531) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
PubChem CID66130531
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name3-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1cccc(-n2ccnc2)c1
InChIInChI=1S/C16H19N5/c1-2-7-20-13-18-10-16(20)11-19-14-4-3-5-15(9-14)21-8-6-17-12-21/h3-6,8-10,12-13,19H,2,7,11H2,1H3
InChIKeyLMBAGZRTHYOFKM-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]aniline?
The IUPAC name of 3-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]aniline (CID 66130531) is 3-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]aniline.
What is the SMILES notation for 3-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]aniline?
The canonical SMILES for 3-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]aniline is CCCn1cncc1CNc1cccc(-n2ccnc2)c1.
What is the InChIKey of 3-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]aniline?
The InChIKey is LMBAGZRTHYOFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-2-7-20-13-18-10-16(20)11-19-14-4-3-5-15(9-14)21-8-6-17-12-21/h3-6,8-10,12-13,19H,2,7,11H2,1H3.
What are the key properties of 3-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]aniline?
3-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]aniline has a molecular weight of 281.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]aniline is sourced from PubChem (CID 66130531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).