2-chloro-1-propylimidazole

C6H9ClN2 — CID 142765750

IUPAC2-chloro-1-propylimidazole
SMILESCCCn1ccnc1Cl
InChIInChI=1S/C6H9ClN2/c1-2-4-9-5-3-8-6(9)7/h3,5H,2,4H2,1H3
InChIKeyMQEMUEVANMMQME-UHFFFAOYSA-N
MW144.60 g/mol
LogP1.95
Rot. Bonds2

About 2-chloro-1-propylimidazole

2-chloro-1-propylimidazole (PubChem CID 142765750) has the molecular formula C6H9ClN2 and a molecular weight of 144.60 g/mol. Its IUPAC name is 2-chloro-1-propylimidazole.

Molecular Properties

Compound Name2-chloro-1-propylimidazole
PubChem CID142765750
Molecular FormulaC6H9ClN2
Molecular Weight144.60 g/mol
Exact Mass144.05
IUPAC Name2-chloro-1-propylimidazole
SMILESCCCn1ccnc1Cl
InChIInChI=1S/C6H9ClN2/c1-2-4-9-5-3-8-6(9)7/h3,5H,2,4H2,1H3
InChIKeyMQEMUEVANMMQME-UHFFFAOYSA-N
XLogP1.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
1-but-3-enyl-2-chloroimidazole
CID 141459444
ethyl-[(1-propylimidazol-2-yl)methyl]azanium
CID 7147625
(1-propylimidazol-2-yl)methanesulfonyl chloride
CID 79761559
3-(1-propylimidazol-2-yl)pentan-3-ol
CID 63974999
(2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone
CID 61316276
N-(3,4-dichlorophenyl)-1-propylimidazol-2-amine
CID 106557576
4-(1-propylimidazol-2-yl)but-3-yn-1-ol
CID 63974123
4-chloro-2-ethyl-6-(1-propylimidazol-2-yl)pyrimidine
CID 80936041
N-(3,5-dichloro-4-fluorophenyl)-1-propylimidazol-2-amine
CID 107581375
(3-chloro-2-methylphenyl)-(1-propylimidazol-2-yl)methanone
CID 107099568
1-methyl-N-(1-propylimidazol-2-yl)pyrazol-3-amine
CID 106562921

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-propylimidazole?
The IUPAC name of 2-chloro-1-propylimidazole (CID 142765750) is 2-chloro-1-propylimidazole.
What is the SMILES notation for 2-chloro-1-propylimidazole?
The canonical SMILES for 2-chloro-1-propylimidazole is CCCn1ccnc1Cl.
What is the InChIKey of 2-chloro-1-propylimidazole?
The InChIKey is MQEMUEVANMMQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2/c1-2-4-9-5-3-8-6(9)7/h3,5H,2,4H2,1H3.
What are the key properties of 2-chloro-1-propylimidazole?
2-chloro-1-propylimidazole has a molecular weight of 144.60 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-propylimidazole is sourced from PubChem (CID 142765750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).