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

C15H20N4O — CID 107496371

IUPAC1-(2-aminoethyl)-N-(2-propylphenyl)imidazole-4-carboxamide
SMILESCCCc1ccccc1NC(=O)c1cn(CCN)cn1
InChIInChI=1S/C15H20N4O/c1-2-5-12-6-3-4-7-13(12)18-15(20)14-10-19(9-8-16)11-17-14/h3-4,6-7,10-11H,2,5,8-9,16H2,1H3,(H,18,20)
InChIKeyBDWKVRLMBSVQBG-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.05
Rot. Bonds6

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

1-(2-aminoethyl)-N-(2-propylphenyl)imidazole-4-carboxamide (PubChem CID 107496371) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(2-propylphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(2-propylphenyl)imidazole-4-carboxamide
PubChem CID107496371
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-(2-aminoethyl)-N-(2-propylphenyl)imidazole-4-carboxamide
SMILESCCCc1ccccc1NC(=O)c1cn(CCN)cn1
InChIInChI=1S/C15H20N4O/c1-2-5-12-6-3-4-7-13(12)18-15(20)14-10-19(9-8-16)11-17-14/h3-4,6-7,10-11H,2,5,8-9,16H2,1H3,(H,18,20)
InChIKeyBDWKVRLMBSVQBG-UHFFFAOYSA-N
XLogP2.05
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)imidazole-4-carboxamide
CID 107495632
1-(2-aminoethyl)-N-(2-hydroxy-3-methylphenyl)imidazole-4-carboxamide
CID 107499209
1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]imidazole-4-carboxamide
CID 107498921
1-(2-aminoethyl)-N-(4-butylphenyl)imidazole-4-carboxamide
CID 107495955
N-[2-(ethylaminomethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107973168
1-(2-aminoethyl)-N-(4-propoxyphenyl)imidazole-4-carboxamide
CID 107498222
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-[(2-fluorophenyl)methyl]imidazole-4-carboxamide
CID 107495694
1-(2-aminoethyl)-N-(3-fluoro-4-pyridinyl)imidazole-4-carboxamide
CID 107595032
1-(2-aminoethyl)-N-[(2-bromophenyl)methyl]imidazole-4-carboxamide
CID 107497860
1-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)imidazole-4-carboxamide
CID 107496780

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(2-propylphenyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(2-propylphenyl)imidazole-4-carboxamide (CID 107496371) is 1-(2-aminoethyl)-N-(2-propylphenyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(2-propylphenyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(2-propylphenyl)imidazole-4-carboxamide is CCCc1ccccc1NC(=O)c1cn(CCN)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-(2-propylphenyl)imidazole-4-carboxamide?
The InChIKey is BDWKVRLMBSVQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-5-12-6-3-4-7-13(12)18-15(20)14-10-19(9-8-16)11-17-14/h3-4,6-7,10-11H,2,5,8-9,16H2,1H3,(H,18,20).
What are the key properties of 1-(2-aminoethyl)-N-(2-propylphenyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(2-propylphenyl)imidazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(2-propylphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 107496371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).