1-(2-aminoethyl)-N-(4-propoxyphenyl)imidazole-4-carboxamide

C15H20N4O2 — CID 107498222

IUPAC1-(2-aminoethyl)-N-(4-propoxyphenyl)imidazole-4-carboxamide
SMILESCCCOc1ccc(NC(=O)c2cn(CCN)cn2)cc1
InChIInChI=1S/C15H20N4O2/c1-2-9-21-13-5-3-12(4-6-13)18-15(20)14-10-19(8-7-16)11-17-14/h3-6,10-11H,2,7-9,16H2,1H3,(H,18,20)
InChIKeyRMJDKNAIDXTXJJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.88
Rot. Bonds7

About 1-(2-aminoethyl)-N-(4-propoxyphenyl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(4-propoxyphenyl)imidazole-4-carboxamide (PubChem CID 107498222) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(4-propoxyphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(4-propoxyphenyl)imidazole-4-carboxamide
PubChem CID107498222
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-(2-aminoethyl)-N-(4-propoxyphenyl)imidazole-4-carboxamide
SMILESCCCOc1ccc(NC(=O)c2cn(CCN)cn2)cc1
InChIInChI=1S/C15H20N4O2/c1-2-9-21-13-5-3-12(4-6-13)18-15(20)14-10-19(8-7-16)11-17-14/h3-6,10-11H,2,7-9,16H2,1H3,(H,18,20)
InChIKeyRMJDKNAIDXTXJJ-UHFFFAOYSA-N
XLogP1.88
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-N-(4-butylphenyl)imidazole-4-carboxamide
CID 107495955
1-(2-aminoethyl)-N-(4-iodophenyl)imidazole-4-carboxamide
CID 107495861
1-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]imidazole-4-carboxamide
CID 107496124
1-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)imidazole-4-carboxamide
CID 107496780
4-amino-1-methyl-N-(4-propoxyphenyl)pyrazole-3-carboxamide
CID 65353904
1-(2-aminoethyl)-N-(3-bromo-4-methylphenyl)imidazole-4-carboxamide
CID 84605534
1-(2-aminoethyl)-N-[4-(difluoromethylsulfanyl)phenyl]imidazole-4-carboxamide
CID 107496216
1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide
CID 107499123
1-(2-aminoethyl)-N-(2-propylphenyl)imidazole-4-carboxamide
CID 107496371
1-(2-aminoethyl)-N-(3-bromo-5-methylphenyl)imidazole-4-carboxamide
CID 107583520
5-bromo-N-(4-propoxyphenyl)pyridine-2-carboxamide
CID 62953584
1-(2-aminoethyl)-N-(3-chloro-5-fluorophenyl)imidazole-4-carboxamide
CID 107499984

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(4-propoxyphenyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(4-propoxyphenyl)imidazole-4-carboxamide (CID 107498222) is 1-(2-aminoethyl)-N-(4-propoxyphenyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(4-propoxyphenyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(4-propoxyphenyl)imidazole-4-carboxamide is CCCOc1ccc(NC(=O)c2cn(CCN)cn2)cc1.
What is the InChIKey of 1-(2-aminoethyl)-N-(4-propoxyphenyl)imidazole-4-carboxamide?
The InChIKey is RMJDKNAIDXTXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-9-21-13-5-3-12(4-6-13)18-15(20)14-10-19(8-7-16)11-17-14/h3-6,10-11H,2,7-9,16H2,1H3,(H,18,20).
What are the key properties of 1-(2-aminoethyl)-N-(4-propoxyphenyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(4-propoxyphenyl)imidazole-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(4-propoxyphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 107498222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).