(3-chloro-2-methylphenyl)-(1-propylimidazol-2-yl)methanone

C14H15ClN2O — CID 107099568

IUPAC(3-chloro-2-methylphenyl)-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)c1cccc(Cl)c1C
InChIInChI=1S/C14H15ClN2O/c1-3-8-17-9-7-16-14(17)13(18)11-5-4-6-12(15)10(11)2/h4-7,9H,3,8H2,1-2H3
InChIKeyBOURSHUDXLQTEM-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.49
Rot. Bonds4

About (3-chloro-2-methylphenyl)-(1-propylimidazol-2-yl)methanone

(3-chloro-2-methylphenyl)-(1-propylimidazol-2-yl)methanone (PubChem CID 107099568) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-(1-propylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-(1-propylimidazol-2-yl)methanone
PubChem CID107099568
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name(3-chloro-2-methylphenyl)-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)c1cccc(Cl)c1C
InChIInChI=1S/C14H15ClN2O/c1-3-8-17-9-7-16-14(17)13(18)11-5-4-6-12(15)10(11)2/h4-7,9H,3,8H2,1-2H3
InChIKeyBOURSHUDXLQTEM-UHFFFAOYSA-N
XLogP3.49
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone
CID 61316276
(2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone
CID 114026338
(3-bromo-2-fluorophenyl)-(1-propylimidazol-2-yl)methanone
CID 114020545
(2-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone
CID 79206823
(4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanone
CID 79807838
(1-ethylimidazol-2-yl)-(2-methylphenyl)methanone
CID 61316085
(1-ethylimidazol-2-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81477833
(3-chloro-2-methylphenyl)-(2-ethylimidazol-1-yl)methanone
CID 110463745
(4-methyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanone
CID 63977127
(5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanone
CID 114822724
(4-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone
CID 79206741
cyclopenten-1-yl-(1-propylimidazol-2-yl)methanone
CID 103448076

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-(1-propylimidazol-2-yl)methanone?
The IUPAC name of (3-chloro-2-methylphenyl)-(1-propylimidazol-2-yl)methanone (CID 107099568) is (3-chloro-2-methylphenyl)-(1-propylimidazol-2-yl)methanone.
What is the SMILES notation for (3-chloro-2-methylphenyl)-(1-propylimidazol-2-yl)methanone?
The canonical SMILES for (3-chloro-2-methylphenyl)-(1-propylimidazol-2-yl)methanone is CCCn1ccnc1C(=O)c1cccc(Cl)c1C.
What is the InChIKey of (3-chloro-2-methylphenyl)-(1-propylimidazol-2-yl)methanone?
The InChIKey is BOURSHUDXLQTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-3-8-17-9-7-16-14(17)13(18)11-5-4-6-12(15)10(11)2/h4-7,9H,3,8H2,1-2H3.
What are the key properties of (3-chloro-2-methylphenyl)-(1-propylimidazol-2-yl)methanone?
(3-chloro-2-methylphenyl)-(1-propylimidazol-2-yl)methanone has a molecular weight of 262.74 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-(1-propylimidazol-2-yl)methanone is sourced from PubChem (CID 107099568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).