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

C12H13IN4O — CID 107495861

IUPAC1-(2-aminoethyl)-N-(4-iodophenyl)imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C12H13IN4O/c13-9-1-3-10(4-2-9)16-12(18)11-7-17(6-5-14)8-15-11/h1-4,7-8H,5-6,14H2,(H,16,18)
InChIKeyUSHKFJQOQJNQQP-UHFFFAOYSA-N
MW356.17 g/mol
LogP1.70
Rot. Bonds4

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

1-(2-aminoethyl)-N-(4-iodophenyl)imidazole-4-carboxamide (PubChem CID 107495861) has the molecular formula C12H13IN4O and a molecular weight of 356.17 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(4-iodophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(4-iodophenyl)imidazole-4-carboxamide
PubChem CID107495861
Molecular FormulaC12H13IN4O
Molecular Weight356.17 g/mol
Exact Mass356.01
IUPAC Name1-(2-aminoethyl)-N-(4-iodophenyl)imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C12H13IN4O/c13-9-1-3-10(4-2-9)16-12(18)11-7-17(6-5-14)8-15-11/h1-4,7-8H,5-6,14H2,(H,16,18)
InChIKeyUSHKFJQOQJNQQP-UHFFFAOYSA-N
XLogP1.70
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]imidazole-4-carboxamide
CID 107496124
1-(2-aminoethyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-carboxamide
CID 107498340
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-(difluoromethylsulfanyl)phenyl]imidazole-4-carboxamide
CID 107496216
1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide
CID 107499123
5-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-2-hydroxybenzoic acid
CID 107497446
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-bromo-3-fluorophenyl)imidazole-4-carboxamide
CID 107499002
1-(2-aminoethyl)-N-(3-carbamoylphenyl)imidazole-4-carboxamide
CID 107497777
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-(4-iodophenyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(4-iodophenyl)imidazole-4-carboxamide (CID 107495861) is 1-(2-aminoethyl)-N-(4-iodophenyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(4-iodophenyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(4-iodophenyl)imidazole-4-carboxamide is NCCn1cnc(C(=O)Nc2ccc(I)cc2)c1.
What is the InChIKey of 1-(2-aminoethyl)-N-(4-iodophenyl)imidazole-4-carboxamide?
The InChIKey is USHKFJQOQJNQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN4O/c13-9-1-3-10(4-2-9)16-12(18)11-7-17(6-5-14)8-15-11/h1-4,7-8H,5-6,14H2,(H,16,18).
What are the key properties of 1-(2-aminoethyl)-N-(4-iodophenyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(4-iodophenyl)imidazole-4-carboxamide has a molecular weight of 356.17 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(4-iodophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 107495861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).