4-(chloromethyl)-5-methyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole

C23H29ClN2 — CID 171378130

IUPAC4-(chloromethyl)-5-methyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole
SMILESCC1=C(CCl)N(c2c(C)cc(C)cc2C)CN1c1c(C)cc(C)cc1C
InChIInChI=1S/C23H29ClN2/c1-14-8-16(3)22(17(4)9-14)25-13-26(21(12-24)20(25)7)23-18(5)10-15(2)11-19(23)6/h8-11H,12-13H2,1-7H3
InChIKeyGQEHAIGKQDTYKJ-UHFFFAOYSA-N
MW368.95 g/mol
LogP6.29
Rot. Bonds3

About 4-(chloromethyl)-5-methyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole

4-(chloromethyl)-5-methyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole (PubChem CID 171378130) has the molecular formula C23H29ClN2 and a molecular weight of 368.95 g/mol. Its IUPAC name is 4-(chloromethyl)-5-methyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole.

Molecular Properties

Compound Name4-(chloromethyl)-5-methyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole
PubChem CID171378130
Molecular FormulaC23H29ClN2
Molecular Weight368.95 g/mol
Exact Mass368.20
IUPAC Name4-(chloromethyl)-5-methyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole
SMILESCC1=C(CCl)N(c2c(C)cc(C)cc2C)CN1c1c(C)cc(C)cc1C
InChIInChI=1S/C23H29ClN2/c1-14-8-16(3)22(17(4)9-14)25-13-26(21(12-24)20(25)7)23-18(5)10-15(2)11-19(23)6/h8-11H,12-13H2,1-7H3
InChIKeyGQEHAIGKQDTYKJ-UHFFFAOYSA-N
XLogP6.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.95
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-5-methyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole 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

1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole
CID 66843107
4,5-dichloro-1-[2,4-dimethyl-6-[2-(1,3,5-trimethyl-2H-imidazol-4-yl)ethyl]phenyl]-3-(2,4,6-trimethylphenyl)-2H-imidazole
CID 143690198
4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-1,3-thiazole;hydrochloride
CID 173073213
4,5-dichloro-1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;4,5-dichloro-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole
CID 159633968
1-[3-[4,5-dimethyl-3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]-5-(trifluoromethyl)phenyl]-5,6-dimethyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazole
CID 164730615
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-one
CID 101485045
2-(chloromethyl)-1,3,5-trimethylbenzene;methane
CID 158287443
4-chloro-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
CID 173174969
1-octyl-3-(2,4,6-trimethylphenyl)-2H-imidazole;hydrobromide
CID 173052661
2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
CID 11774625
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-imine;chloro hypochlorite
CID 175231814
1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole
CID 171371589

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-methyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole?
The IUPAC name of 4-(chloromethyl)-5-methyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole (CID 171378130) is 4-(chloromethyl)-5-methyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole.
What is the SMILES notation for 4-(chloromethyl)-5-methyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole?
The canonical SMILES for 4-(chloromethyl)-5-methyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole is CC1=C(CCl)N(c2c(C)cc(C)cc2C)CN1c1c(C)cc(C)cc1C.
What is the InChIKey of 4-(chloromethyl)-5-methyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole?
The InChIKey is GQEHAIGKQDTYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2/c1-14-8-16(3)22(17(4)9-14)25-13-26(21(12-24)20(25)7)23-18(5)10-15(2)11-19(23)6/h8-11H,12-13H2,1-7H3.
What are the key properties of 4-(chloromethyl)-5-methyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole?
4-(chloromethyl)-5-methyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole has a molecular weight of 368.95 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-methyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole is sourced from PubChem (CID 171378130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).