1-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]imidazole-4-carboxamide

C14H19N5O — CID 107496124

IUPAC1-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]imidazole-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cn(CCN)cn2)cc1
InChIInChI=1S/C14H19N5O/c1-18(2)12-5-3-11(4-6-12)17-14(20)13-9-19(8-7-15)10-16-13/h3-6,9-10H,7-8,15H2,1-2H3,(H,17,20)
InChIKeyQKMMCZYPDZGMOS-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.16
Rot. Bonds5

About 1-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]imidazole-4-carboxamide

1-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]imidazole-4-carboxamide (PubChem CID 107496124) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]imidazole-4-carboxamide
PubChem CID107496124
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]imidazole-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cn(CCN)cn2)cc1
InChIInChI=1S/C14H19N5O/c1-18(2)12-5-3-11(4-6-12)17-14(20)13-9-19(8-7-15)10-16-13/h3-6,9-10H,7-8,15H2,1-2H3,(H,17,20)
InChIKeyQKMMCZYPDZGMOS-UHFFFAOYSA-N
XLogP1.16
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminoethyl)-N-(4-iodophenyl)imidazole-4-carboxamide
CID 107495861
1-(2-aminoethyl)-N-(4-propoxyphenyl)imidazole-4-carboxamide
CID 107498222
1-(2-aminoethyl)-N-(4-butylphenyl)imidazole-4-carboxamide
CID 107495955
1-(2-aminoethyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-carboxamide
CID 107498340
1-(2-aminoethyl)-N-(3-bromo-4-methylphenyl)imidazole-4-carboxamide
CID 84605534
1-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide
CID 107495701
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-(6-oxo-1-propyl-3-pyridinyl)imidazole-4-carboxamide
CID 107496780
5-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-2-hydroxybenzoic acid
CID 107497446
1-(2-aminoethyl)-N-(4-bromo-3-fluorophenyl)imidazole-4-carboxamide
CID 107499002
1-(2-aminoethyl)-N-(3-carbamoylphenyl)imidazole-4-carboxamide
CID 107497777

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]imidazole-4-carboxamide (CID 107496124) is 1-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]imidazole-4-carboxamide is CN(C)c1ccc(NC(=O)c2cn(CCN)cn2)cc1.
What is the InChIKey of 1-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]imidazole-4-carboxamide?
The InChIKey is QKMMCZYPDZGMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-18(2)12-5-3-11(4-6-12)17-14(20)13-9-19(8-7-15)10-16-13/h3-6,9-10H,7-8,15H2,1-2H3,(H,17,20).
What are the key properties of 1-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]imidazole-4-carboxamide?
1-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]imidazole-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.16, 5 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-(dimethylamino)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 107496124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).