methyl 4-(benzylamino)-2-(4-methoxyphenyl)-1H-imidazole-5-carboxylate

C19H19N3O3 — CID 562627

IUPACmethyl 4-(benzylamino)-2-(4-methoxyphenyl)-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1[nH]c(-c2ccc(OC)cc2)nc1NCc1ccccc1
InChIInChI=1S/C19H19N3O3/c1-24-15-10-8-14(9-11-15)17-21-16(19(23)25-2)18(22-17)20-12-13-6-4-3-5-7-13/h3-11,20H,12H2,1-2H3,(H,21,22)
InChIKeyRRCUFITYMYKDHU-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.48
Rot. Bonds6

About methyl 4-(benzylamino)-2-(4-methoxyphenyl)-1H-imidazole-5-carboxylate

methyl 4-(benzylamino)-2-(4-methoxyphenyl)-1H-imidazole-5-carboxylate (PubChem CID 562627) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is methyl 4-(benzylamino)-2-(4-methoxyphenyl)-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(benzylamino)-2-(4-methoxyphenyl)-1H-imidazole-5-carboxylate
PubChem CID562627
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Namemethyl 4-(benzylamino)-2-(4-methoxyphenyl)-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1[nH]c(-c2ccc(OC)cc2)nc1NCc1ccccc1
InChIInChI=1S/C19H19N3O3/c1-24-15-10-8-14(9-11-15)17-21-16(19(23)25-2)18(22-17)20-12-13-6-4-3-5-7-13/h3-11,20H,12H2,1-2H3,(H,21,22)
InChIKeyRRCUFITYMYKDHU-UHFFFAOYSA-N
XLogP3.48
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
ethyl 4-(4-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 44605731
methyl 2-(4-methoxyphenyl)-4-piperidin-1-yl-1H-imidazole-5-carboxylate
CID 628810
3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62710099
1-[5-(benzylamino)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-methoxyethanone
CID 5137673
N-benzyl-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide
CID 110295366
N-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 46173648
methyl 4-(3,4-dimethylphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 156703614
methyl 5-chloro-2-phenyl-1H-imidazole-4-carboxylate
CID 69111578
N-(benzylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7906357
N-benzyl-3-(4-methoxyphenyl)prop-2-ynamide
CID 12660141
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665

Frequently Asked Questions

What is the IUPAC name of methyl 4-(benzylamino)-2-(4-methoxyphenyl)-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 4-(benzylamino)-2-(4-methoxyphenyl)-1H-imidazole-5-carboxylate (CID 562627) is methyl 4-(benzylamino)-2-(4-methoxyphenyl)-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 4-(benzylamino)-2-(4-methoxyphenyl)-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 4-(benzylamino)-2-(4-methoxyphenyl)-1H-imidazole-5-carboxylate is COC(=O)c1[nH]c(-c2ccc(OC)cc2)nc1NCc1ccccc1.
What is the InChIKey of methyl 4-(benzylamino)-2-(4-methoxyphenyl)-1H-imidazole-5-carboxylate?
The InChIKey is RRCUFITYMYKDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-15-10-8-14(9-11-15)17-21-16(19(23)25-2)18(22-17)20-12-13-6-4-3-5-7-13/h3-11,20H,12H2,1-2H3,(H,21,22).
What are the key properties of methyl 4-(benzylamino)-2-(4-methoxyphenyl)-1H-imidazole-5-carboxylate?
methyl 4-(benzylamino)-2-(4-methoxyphenyl)-1H-imidazole-5-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(benzylamino)-2-(4-methoxyphenyl)-1H-imidazole-5-carboxylate is sourced from PubChem (CID 562627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).