2-[3-[[4-(aminomethyl)phenyl]methyl]-5-phenylimidazol-4-yl]benzoic acid

C24H21N3O2 — CID 50960351

IUPAC2-[3-[[4-(aminomethyl)phenyl]methyl]-5-phenylimidazol-4-yl]benzoic acid
SMILESNCc1ccc(Cn2cnc(-c3ccccc3)c2-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C24H21N3O2/c25-14-17-10-12-18(13-11-17)15-27-16-26-22(19-6-2-1-3-7-19)23(27)20-8-4-5-9-21(20)24(28)29/h1-13,16H,14-15,25H2,(H,28,29)
InChIKeyRLTBPXJZTOWMEO-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.42
Rot. Bonds6

About 2-[3-[[4-(aminomethyl)phenyl]methyl]-5-phenylimidazol-4-yl]benzoic acid

2-[3-[[4-(aminomethyl)phenyl]methyl]-5-phenylimidazol-4-yl]benzoic acid (PubChem CID 50960351) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[3-[[4-(aminomethyl)phenyl]methyl]-5-phenylimidazol-4-yl]benzoic acid.

Molecular Properties

Compound Name2-[3-[[4-(aminomethyl)phenyl]methyl]-5-phenylimidazol-4-yl]benzoic acid
PubChem CID50960351
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name2-[3-[[4-(aminomethyl)phenyl]methyl]-5-phenylimidazol-4-yl]benzoic acid
SMILESNCc1ccc(Cn2cnc(-c3ccccc3)c2-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C24H21N3O2/c25-14-17-10-12-18(13-11-17)15-27-16-26-22(19-6-2-1-3-7-19)23(27)20-8-4-5-9-21(20)24(28)29/h1-13,16H,14-15,25H2,(H,28,29)
InChIKeyRLTBPXJZTOWMEO-UHFFFAOYSA-N
XLogP4.42
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(4-methylthiadiazol-5-yl)methyl]-5-phenylimidazol-4-yl]benzoic acid
CID 50982647
3-benzylbenzimidazole-4-carboxylic acid
CID 83413316
2-[3-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-5-phenylimidazol-4-yl]benzoic acid
CID 95127049
2-(9-benzylpurin-6-yl)-3-phenylbenzamide
CID 122531264
3-[(4-chlorophenyl)methyl]benzimidazole-4-carboxylic acid
CID 115932612
1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole
CID 15794352
N-(3-benzyl-5-phenylimidazol-4-yl)acetamide
CID 166206532
6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole
CID 25105771
N-[[4-(aminomethyl)phenyl]methyl]-1-benzyl-3-phenylpyrazole-4-carboxamide
CID 90280333
3-[3-[(4-fluorophenyl)methyl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine
CID 50975114
2-[4-[(5-butylimidazol-1-yl)methyl]phenyl]benzoic acid
CID 10449557
2-[[4-(aminomethyl)phenyl]methyl]benzoic acid
CID 19794414

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(aminomethyl)phenyl]methyl]-5-phenylimidazol-4-yl]benzoic acid?
The IUPAC name of 2-[3-[[4-(aminomethyl)phenyl]methyl]-5-phenylimidazol-4-yl]benzoic acid (CID 50960351) is 2-[3-[[4-(aminomethyl)phenyl]methyl]-5-phenylimidazol-4-yl]benzoic acid.
What is the SMILES notation for 2-[3-[[4-(aminomethyl)phenyl]methyl]-5-phenylimidazol-4-yl]benzoic acid?
The canonical SMILES for 2-[3-[[4-(aminomethyl)phenyl]methyl]-5-phenylimidazol-4-yl]benzoic acid is NCc1ccc(Cn2cnc(-c3ccccc3)c2-c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[3-[[4-(aminomethyl)phenyl]methyl]-5-phenylimidazol-4-yl]benzoic acid?
The InChIKey is RLTBPXJZTOWMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c25-14-17-10-12-18(13-11-17)15-27-16-26-22(19-6-2-1-3-7-19)23(27)20-8-4-5-9-21(20)24(28)29/h1-13,16H,14-15,25H2,(H,28,29).
What are the key properties of 2-[3-[[4-(aminomethyl)phenyl]methyl]-5-phenylimidazol-4-yl]benzoic acid?
2-[3-[[4-(aminomethyl)phenyl]methyl]-5-phenylimidazol-4-yl]benzoic acid has a molecular weight of 383.45 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(aminomethyl)phenyl]methyl]-5-phenylimidazol-4-yl]benzoic acid is sourced from PubChem (CID 50960351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).