4-[[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline

C18H20N4 — CID 82558654

IUPAC4-[[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline
SMILESNCc1cccc(Cn2ccnc2Cc2ccc(N)cc2)c1
InChIInChI=1S/C18H20N4/c19-12-15-2-1-3-16(10-15)13-22-9-8-21-18(22)11-14-4-6-17(20)7-5-14/h1-10H,11-13,19-20H2
InChIKeyLNARRLJZNHEPHO-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.56
Rot. Bonds5

About 4-[[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline

4-[[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline (PubChem CID 82558654) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 4-[[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline.

Molecular Properties

Compound Name4-[[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline
PubChem CID82558654
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name4-[[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline
SMILESNCc1cccc(Cn2ccnc2Cc2ccc(N)cc2)c1
InChIInChI=1S/C18H20N4/c19-12-15-2-1-3-16(10-15)13-22-9-8-21-18(22)11-14-4-6-17(20)7-5-14/h1-10H,11-13,19-20H2
InChIKeyLNARRLJZNHEPHO-UHFFFAOYSA-N
XLogP2.56
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558173
[4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82557868
[4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558174
4-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82557919
4-[[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82558475
[4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82557940
[4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558352
4-[[1-[(1-phenylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]aniline
CID 82558636
3-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline
CID 82558720
4-[[1-(4-aminobutyl)imidazol-2-yl]methyl]aniline
CID 82558650
[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine
CID 62223886
[1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine
CID 62221774

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline?
The IUPAC name of 4-[[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline (CID 82558654) is 4-[[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline.
What is the SMILES notation for 4-[[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline?
The canonical SMILES for 4-[[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline is NCc1cccc(Cn2ccnc2Cc2ccc(N)cc2)c1.
What is the InChIKey of 4-[[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline?
The InChIKey is LNARRLJZNHEPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c19-12-15-2-1-3-16(10-15)13-22-9-8-21-18(22)11-14-4-6-17(20)7-5-14/h1-10H,11-13,19-20H2.
What are the key properties of 4-[[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline?
4-[[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline has a molecular weight of 292.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline is sourced from PubChem (CID 82558654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).