1-(3-chlorophenyl)-4,5-dimethylimidazole

C11H11ClN2 — CID 125478648

IUPAC1-(3-chlorophenyl)-4,5-dimethylimidazole
SMILESCc1ncn(-c2cccc(Cl)c2)c1C
InChIInChI=1S/C11H11ClN2/c1-8-9(2)14(7-13-8)11-5-3-4-10(12)6-11/h3-7H,1-2H3
InChIKeyVQQIYHGIIKMQKJ-UHFFFAOYSA-N
MW206.68 g/mol
LogP3.14
Rot. Bonds1

About 1-(3-chlorophenyl)-4,5-dimethylimidazole

1-(3-chlorophenyl)-4,5-dimethylimidazole (PubChem CID 125478648) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4,5-dimethylimidazole.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4,5-dimethylimidazole
PubChem CID125478648
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name1-(3-chlorophenyl)-4,5-dimethylimidazole
SMILESCc1ncn(-c2cccc(Cl)c2)c1C
InChIInChI=1S/C11H11ClN2/c1-8-9(2)14(7-13-8)11-5-3-4-10(12)6-11/h3-7H,1-2H3
InChIKeyVQQIYHGIIKMQKJ-UHFFFAOYSA-N
XLogP3.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(4,5-dimethylimidazol-1-yl)benzoate
CID 71378704
1-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)propan-1-one
CID 62349880
1-[3-(4,5-dimethylimidazol-1-yl)phenyl]butan-2-amine
CID 63942141
N-[1-[3-(4,5-dimethylimidazol-1-yl)phenyl]ethyl]propan-1-amine
CID 79170436
1-(3-chlorophenyl)-2-methylpyrrole
CID 70286034
5-chloro-2-(4,5-dimethylimidazol-1-yl)benzoic acid
CID 62352145
5-chloro-1-(3-chlorophenyl)-3,4-dimethylpyrazole
CID 66021982
1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole
CID 115624826
N-[[3-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 63943468
6-chloro-9-(3-chlorophenyl)purine
CID 14322386
1-[2-(bromomethyl)-5-chlorophenyl]-4,5-dimethylimidazole
CID 107086042
(1R)-1-[3-(3-chlorophenyl)imidazol-4-yl]ethanamine
CID 104941553

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4,5-dimethylimidazole?
The IUPAC name of 1-(3-chlorophenyl)-4,5-dimethylimidazole (CID 125478648) is 1-(3-chlorophenyl)-4,5-dimethylimidazole.
What is the SMILES notation for 1-(3-chlorophenyl)-4,5-dimethylimidazole?
The canonical SMILES for 1-(3-chlorophenyl)-4,5-dimethylimidazole is Cc1ncn(-c2cccc(Cl)c2)c1C.
What is the InChIKey of 1-(3-chlorophenyl)-4,5-dimethylimidazole?
The InChIKey is VQQIYHGIIKMQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-8-9(2)14(7-13-8)11-5-3-4-10(12)6-11/h3-7H,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-4,5-dimethylimidazole?
1-(3-chlorophenyl)-4,5-dimethylimidazole has a molecular weight of 206.68 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4,5-dimethylimidazole is sourced from PubChem (CID 125478648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).