N-[2-(bromomethyl)cyclopentyl]-3-methylimidazole-4-carboxamide

C11H16BrN3O — CID 106366597

IUPACN-[2-(bromomethyl)cyclopentyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)NC1CCCC1CBr
InChIInChI=1S/C11H16BrN3O/c1-15-7-13-6-10(15)11(16)14-9-4-2-3-8(9)5-12/h6-9H,2-5H2,1H3,(H,14,16)
InChIKeyXYNATPGIDXJMLS-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.71
Rot. Bonds3

About N-[2-(bromomethyl)cyclopentyl]-3-methylimidazole-4-carboxamide

N-[2-(bromomethyl)cyclopentyl]-3-methylimidazole-4-carboxamide (PubChem CID 106366597) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-3-methylimidazole-4-carboxamide
PubChem CID106366597
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)NC1CCCC1CBr
InChIInChI=1S/C11H16BrN3O/c1-15-7-13-6-10(15)11(16)14-9-4-2-3-8(9)5-12/h6-9H,2-5H2,1H3,(H,14,16)
InChIKeyXYNATPGIDXJMLS-UHFFFAOYSA-N
XLogP1.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(bromomethyl)cyclopentyl]-2,5-dimethylpyrazole-3-carboxamide
CID 106366475
N-[2-(bromomethyl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide
CID 106367309
N-cyclopentyl-3-methylimidazole-4-carboxamide
CID 110848735
N-[2-(bromomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide
CID 114219227
N-[(1S,6S)-6-carbamoylcyclohex-3-en-1-yl]-3-methylimidazole-4-carboxamide
CID 164634186
N-[2-(bromomethyl)cyclohexyl]-1-methyl-5-nitropyrrole-2-carboxamide
CID 106367377
N-[2-(bromomethyl)cyclohexyl]pyridine-4-carboxamide
CID 106367080
N-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide;formic acid
CID 155972778
N-[2-(bromomethyl)cyclopentyl]furan-3-carboxamide
CID 106366425
N-[2-(bromomethyl)cyclohexyl]thiadiazole-5-carboxamide
CID 106367062
N-[2-(bromomethyl)cyclohexyl]pyridazine-4-carboxamide
CID 106367322
N-[2-(bromomethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide
CID 114179479

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-3-methylimidazole-4-carboxamide (CID 106366597) is N-[2-(bromomethyl)cyclopentyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)NC1CCCC1CBr.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-3-methylimidazole-4-carboxamide?
The InChIKey is XYNATPGIDXJMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-15-7-13-6-10(15)11(16)14-9-4-2-3-8(9)5-12/h6-9H,2-5H2,1H3,(H,14,16).
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-3-methylimidazole-4-carboxamide?
N-[2-(bromomethyl)cyclopentyl]-3-methylimidazole-4-carboxamide has a molecular weight of 286.17 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 106366597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).