N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-imidazole-5-carboxamide

C13H15N5O2 — CID 107000042

IUPACN-[2-(2-aminoethylcarbamoyl)phenyl]-1H-imidazole-5-carboxamide
SMILESNCCNC(=O)c1ccccc1NC(=O)c1cnc[nH]1
InChIInChI=1S/C13H15N5O2/c14-5-6-16-12(19)9-3-1-2-4-10(9)18-13(20)11-7-15-8-17-11/h1-4,7-8H,5-6,14H2,(H,15,17)(H,16,19)(H,18,20)
InChIKeyBZQHMTRVZYSXMK-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.35
Rot. Bonds5

About N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-imidazole-5-carboxamide

N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-imidazole-5-carboxamide (PubChem CID 107000042) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylcarbamoyl)phenyl]-1H-imidazole-5-carboxamide
PubChem CID107000042
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-[2-(2-aminoethylcarbamoyl)phenyl]-1H-imidazole-5-carboxamide
SMILESNCCNC(=O)c1ccccc1NC(=O)c1cnc[nH]1
InChIInChI=1S/C13H15N5O2/c14-5-6-16-12(19)9-3-1-2-4-10(9)18-13(20)11-7-15-8-17-11/h1-4,7-8H,5-6,14H2,(H,15,17)(H,16,19)(H,18,20)
InChIKeyBZQHMTRVZYSXMK-UHFFFAOYSA-N
XLogP0.35
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphthalen-1-yl-1H-imidazole-5-carboxamide
CID 110475305
N-[2-(2-aminoethylcarbamoyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106999665
N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 107000026
N-[2-(2-aminoethylcarbamoyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 120604390
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
CID 107000060
N-(2-aminoethyl)-2-(but-3-enoylamino)benzamide
CID 106999671
N-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide
CID 120604009
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-chlorothiophene-2-carboxamide
CID 107000040
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide
CID 106999674
N-(2-aminoethyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
CID 120603872
N-(2-aminoethyl)-2-(2,2,2-trifluoroethylcarbamoylamino)benzamide
CID 107000067
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-bromothiophene-2-carboxamide
CID 107000041

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-imidazole-5-carboxamide (CID 107000042) is N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-imidazole-5-carboxamide is NCCNC(=O)c1ccccc1NC(=O)c1cnc[nH]1.
What is the InChIKey of N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-imidazole-5-carboxamide?
The InChIKey is BZQHMTRVZYSXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c14-5-6-16-12(19)9-3-1-2-4-10(9)18-13(20)11-7-15-8-17-11/h1-4,7-8H,5-6,14H2,(H,15,17)(H,16,19)(H,18,20).
What are the key properties of N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-imidazole-5-carboxamide?
N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-imidazole-5-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 0.35, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 107000042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).