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

C13H15ClN4O — CID 107495632

IUPAC1-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)imidazole-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cn(CCN)cn1
InChIInChI=1S/C13H15ClN4O/c1-9-10(14)3-2-4-11(9)17-13(19)12-7-18(6-5-15)8-16-12/h2-4,7-8H,5-6,15H2,1H3,(H,17,19)
InChIKeyAZRABSUQGJTMDE-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.06
Rot. Bonds4

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

1-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)imidazole-4-carboxamide (PubChem CID 107495632) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)imidazole-4-carboxamide
PubChem CID107495632
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name1-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)imidazole-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cn(CCN)cn1
InChIInChI=1S/C13H15ClN4O/c1-9-10(14)3-2-4-11(9)17-13(19)12-7-18(6-5-15)8-16-12/h2-4,7-8H,5-6,15H2,1H3,(H,17,19)
InChIKeyAZRABSUQGJTMDE-UHFFFAOYSA-N
XLogP2.06
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoethyl)-N-(2-hydroxy-3-methylphenyl)imidazole-4-carboxamide
CID 107499209
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-(2-methoxy-5-methylphenyl)imidazole-4-carboxamide
CID 107495666
1-(2-aminoethyl)-N-(3-carbamoylphenyl)imidazole-4-carboxamide
CID 107497777
1-(2-aminoethyl)-N-(3-fluoro-4-pyridinyl)imidazole-4-carboxamide
CID 107595032
1-(2-aminoethyl)-N-(6-chloropyridazin-3-yl)imidazole-4-carboxamide
CID 107499813
1-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide
CID 107495701
1-(2-aminoethyl)-N-(5-bromo-2-fluorophenyl)imidazole-4-carboxamide
CID 107496029
N-(3-chloro-2-methylphenyl)-1-methyl-4-nitropyrazole-3-carboxamide
CID 19263836
1-(2-aminoethyl)-N-(3-bromo-4-methylphenyl)imidazole-4-carboxamide
CID 84605534
1-(2-aminoethyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-carboxamide
CID 107498340

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)imidazole-4-carboxamide (CID 107495632) is 1-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)imidazole-4-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cn(CCN)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)imidazole-4-carboxamide?
The InChIKey is AZRABSUQGJTMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-9-10(14)3-2-4-11(9)17-13(19)12-7-18(6-5-15)8-16-12/h2-4,7-8H,5-6,15H2,1H3,(H,17,19).
What are the key properties of 1-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)imidazole-4-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.06, 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-(3-chloro-2-methylphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 107495632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).