[2-(chloromethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone

C10H14ClN3O — CID 103512063

IUPAC[2-(chloromethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCCC1CCl
InChIInChI=1S/C10H14ClN3O/c1-13-7-12-6-9(13)10(15)14-4-2-3-8(14)5-11/h6-8H,2-5H2,1H3
InChIKeyTWOKPVXJGZZVDU-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.26
Rot. Bonds2

About [2-(chloromethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone

[2-(chloromethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone (PubChem CID 103512063) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is [2-(chloromethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
PubChem CID103512063
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name[2-(chloromethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCCC1CCl
InChIInChI=1S/C10H14ClN3O/c1-13-7-12-6-9(13)10(15)14-4-2-3-8(14)5-11/h6-8H,2-5H2,1H3
InChIKeyTWOKPVXJGZZVDU-UHFFFAOYSA-N
XLogP1.26
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(chloromethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(3-methylimidazole-4-carbonyl)piperidine-2-carboxylate
CID 103511735
[2-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122367
[2-(6-aminopyridazin-3-yl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 154761666
(3-methylimidazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 103511553
[2-(chloromethyl)pyrrolidin-1-yl]-(3,5-dibromophenyl)methanone
CID 107974810
[2-(chloromethyl)pyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 63394765
(3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512083
[3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510238
[2-(aminomethyl)-6-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103511576
[(2R)-4-benzyl-2-methyl-1,4-diazepan-1-yl]-(3-methylimidazol-4-yl)methanone
CID 100647026
(3-methylimidazol-4-yl)-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 119035642
[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 126820795

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The IUPAC name of [2-(chloromethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone (CID 103512063) is [2-(chloromethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for [2-(chloromethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for [2-(chloromethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone is Cn1cncc1C(=O)N1CCCC1CCl.
What is the InChIKey of [2-(chloromethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The InChIKey is TWOKPVXJGZZVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-13-7-12-6-9(13)10(15)14-4-2-3-8(14)5-11/h6-8H,2-5H2,1H3.
What are the key properties of [2-(chloromethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone?
[2-(chloromethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone has a molecular weight of 227.69 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 103512063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).