2-(1-benzamidocyclobutyl)-1H-imidazole-5-carboxylic acid

C15H15N3O3 — CID 60828087

IUPAC2-(1-benzamidocyclobutyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(NC1(c2ncc(C(=O)O)[nH]2)CCC1)c1ccccc1
InChIInChI=1S/C15H15N3O3/c19-12(10-5-2-1-3-6-10)18-15(7-4-8-15)14-16-9-11(17-14)13(20)21/h1-3,5-6,9H,4,7-8H2,(H,16,17)(H,18,19)(H,20,21)
InChIKeyNVSPELPICIPUGJ-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.92
Rot. Bonds4

About 2-(1-benzamidocyclobutyl)-1H-imidazole-5-carboxylic acid

2-(1-benzamidocyclobutyl)-1H-imidazole-5-carboxylic acid (PubChem CID 60828087) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(1-benzamidocyclobutyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-benzamidocyclobutyl)-1H-imidazole-5-carboxylic acid
PubChem CID60828087
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-(1-benzamidocyclobutyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(NC1(c2ncc(C(=O)O)[nH]2)CCC1)c1ccccc1
InChIInChI=1S/C15H15N3O3/c19-12(10-5-2-1-3-6-10)18-15(7-4-8-15)14-16-9-11(17-14)13(20)21/h1-3,5-6,9H,4,7-8H2,(H,16,17)(H,18,19)(H,20,21)
InChIKeyNVSPELPICIPUGJ-UHFFFAOYSA-N
XLogP1.92
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1H-pyrazole-5-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 60829408
2-[1-[(1-methylpyrrole-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 60827601
2-[1-[(3-methylthiophene-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 60829755
2-(1-formamidocyclobutyl)-1H-imidazole-5-carboxylic acid
CID 61146796
2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 79815144
2-[1-(3,3,3-trifluoropropanoylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 60828908
2-[1-[[methyl(propan-2-yl)carbamoyl]amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 61183362
2-[1-[(3-methoxy-3-methylbutanoyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 103018340
2-[1-(oxolane-3-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 61270501
2-[1-(2,2,2-trifluoroethoxycarbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 61169033
2-[1-(cyclobutylmethylcarbamoylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 61197046
2-[1-[(2-propoxyacetyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 107937794

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzamidocyclobutyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(1-benzamidocyclobutyl)-1H-imidazole-5-carboxylic acid (CID 60828087) is 2-(1-benzamidocyclobutyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-benzamidocyclobutyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(1-benzamidocyclobutyl)-1H-imidazole-5-carboxylic acid is O=C(NC1(c2ncc(C(=O)O)[nH]2)CCC1)c1ccccc1.
What is the InChIKey of 2-(1-benzamidocyclobutyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is NVSPELPICIPUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-12(10-5-2-1-3-6-10)18-15(7-4-8-15)14-16-9-11(17-14)13(20)21/h1-3,5-6,9H,4,7-8H2,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 2-(1-benzamidocyclobutyl)-1H-imidazole-5-carboxylic acid?
2-(1-benzamidocyclobutyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzamidocyclobutyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 60828087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).