2-(5-chloro-4-methylpentyl)-1-methylimidazole

C10H17ClN2 — CID 114532201

IUPAC2-(5-chloro-4-methylpentyl)-1-methylimidazole
SMILESCC(CCl)CCCc1nccn1C
InChIInChI=1S/C10H17ClN2/c1-9(8-11)4-3-5-10-12-6-7-13(10)2/h6-7,9H,3-5,8H2,1-2H3
InChIKeyRXEBXESPNFBIFX-UHFFFAOYSA-N
MW200.71 g/mol
LogP2.62
Rot. Bonds5

About 2-(5-chloro-4-methylpentyl)-1-methylimidazole

2-(5-chloro-4-methylpentyl)-1-methylimidazole (PubChem CID 114532201) has the molecular formula C10H17ClN2 and a molecular weight of 200.71 g/mol. Its IUPAC name is 2-(5-chloro-4-methylpentyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(5-chloro-4-methylpentyl)-1-methylimidazole
PubChem CID114532201
Molecular FormulaC10H17ClN2
Molecular Weight200.71 g/mol
Exact Mass200.11
IUPAC Name2-(5-chloro-4-methylpentyl)-1-methylimidazole
SMILESCC(CCl)CCCc1nccn1C
InChIInChI=1S/C10H17ClN2/c1-9(8-11)4-3-5-10-12-6-7-13(10)2/h6-7,9H,3-5,8H2,1-2H3
InChIKeyRXEBXESPNFBIFX-UHFFFAOYSA-N
XLogP2.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromopentyl)-1-methylimidazole
CID 79761341
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
2-(5-bromohexyl)-1-methylimidazole
CID 114532192
N-ethyl-5-(1-methylimidazol-2-yl)pentan-2-amine
CID 79761819
2-(4-bromohexyl)-1-methylimidazole
CID 79762311
2-(4-bromoheptyl)-1-methylimidazole
CID 79761944
2-butyl-1-methylimidazole;propan-2-ol;hydrochloride
CID 175427574
2-butyl-1-methylimidazole;fluoroform
CID 162050255
3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-N-propan-2-ylpropan-1-amine
CID 114531717
1-methyl-2-nonylimidazole
CID 67393993
4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762041

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-methylpentyl)-1-methylimidazole?
The IUPAC name of 2-(5-chloro-4-methylpentyl)-1-methylimidazole (CID 114532201) is 2-(5-chloro-4-methylpentyl)-1-methylimidazole.
What is the SMILES notation for 2-(5-chloro-4-methylpentyl)-1-methylimidazole?
The canonical SMILES for 2-(5-chloro-4-methylpentyl)-1-methylimidazole is CC(CCl)CCCc1nccn1C.
What is the InChIKey of 2-(5-chloro-4-methylpentyl)-1-methylimidazole?
The InChIKey is RXEBXESPNFBIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2/c1-9(8-11)4-3-5-10-12-6-7-13(10)2/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of 2-(5-chloro-4-methylpentyl)-1-methylimidazole?
2-(5-chloro-4-methylpentyl)-1-methylimidazole has a molecular weight of 200.71 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-methylpentyl)-1-methylimidazole is sourced from PubChem (CID 114532201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).