1-(2-aminoethyl)-N-(2-hydroxy-3-methylphenyl)imidazole-4-carboxamide

C13H16N4O2 — CID 107499209

IUPAC1-(2-aminoethyl)-N-(2-hydroxy-3-methylphenyl)imidazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2cn(CCN)cn2)c1O
InChIInChI=1S/C13H16N4O2/c1-9-3-2-4-10(12(9)18)16-13(19)11-7-17(6-5-14)8-15-11/h2-4,7-8,18H,5-6,14H2,1H3,(H,16,19)
InChIKeyVKOYWUZJLTXUKO-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.11
Rot. Bonds4

About 1-(2-aminoethyl)-N-(2-hydroxy-3-methylphenyl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(2-hydroxy-3-methylphenyl)imidazole-4-carboxamide (PubChem CID 107499209) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(2-hydroxy-3-methylphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(2-hydroxy-3-methylphenyl)imidazole-4-carboxamide
PubChem CID107499209
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-(2-aminoethyl)-N-(2-hydroxy-3-methylphenyl)imidazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2cn(CCN)cn2)c1O
InChIInChI=1S/C13H16N4O2/c1-9-3-2-4-10(12(9)18)16-13(19)11-7-17(6-5-14)8-15-11/h2-4,7-8,18H,5-6,14H2,1H3,(H,16,19)
InChIKeyVKOYWUZJLTXUKO-UHFFFAOYSA-N
XLogP1.11
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)imidazole-4-carboxamide
CID 107495632
1-(2-aminoethyl)-N-(2-propylphenyl)imidazole-4-carboxamide
CID 107496371
1-(2-aminoethyl)-N-(3-methoxy-2,4-dimethylphenyl)imidazole-4-carboxamide
CID 107496194
1-(2-aminoethyl)-N-(3-hydroxy-6-methyl-2-pyridinyl)imidazole-4-carboxamide
CID 107499624
1-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide
CID 107495701
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
3-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-4-hydroxybenzoic acid
CID 107499979
1-(2-aminoethyl)-N-(2-chloro-4-methyl-3-pyridinyl)imidazole-4-carboxamide
CID 107499014
1-(2-aminoethyl)-N-(4-iodophenyl)imidazole-4-carboxamide
CID 107495861
1-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)imidazole-4-carboxamide
CID 107495666
1-(2-aminoethyl)-N-(3-carbamoylphenyl)imidazole-4-carboxamide
CID 107497777

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(2-hydroxy-3-methylphenyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(2-hydroxy-3-methylphenyl)imidazole-4-carboxamide (CID 107499209) is 1-(2-aminoethyl)-N-(2-hydroxy-3-methylphenyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(2-hydroxy-3-methylphenyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(2-hydroxy-3-methylphenyl)imidazole-4-carboxamide is Cc1cccc(NC(=O)c2cn(CCN)cn2)c1O.
What is the InChIKey of 1-(2-aminoethyl)-N-(2-hydroxy-3-methylphenyl)imidazole-4-carboxamide?
The InChIKey is VKOYWUZJLTXUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-3-2-4-10(12(9)18)16-13(19)11-7-17(6-5-14)8-15-11/h2-4,7-8,18H,5-6,14H2,1H3,(H,16,19).
What are the key properties of 1-(2-aminoethyl)-N-(2-hydroxy-3-methylphenyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(2-hydroxy-3-methylphenyl)imidazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(2-hydroxy-3-methylphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 107499209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).