2-chloro-1,3,5-trimethylbenzene;4,5-dihydro-1H-imidazole

C12H17ClN2 — CID 71071019

IUPAC2-chloro-1,3,5-trimethylbenzene;4,5-dihydro-1H-imidazole
SMILESC1=NCCN1.Cc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C9H11Cl.C3H6N2/c1-6-4-7(2)9(10)8(3)5-6;1-2-5-3-4-1/h4-5H,1-3H3;3H,1-2H2,(H,4,5)
InChIKeyYPXHTACDANOZFC-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.88
Rot. Bonds

About 2-chloro-1,3,5-trimethylbenzene;4,5-dihydro-1H-imidazole

2-chloro-1,3,5-trimethylbenzene;4,5-dihydro-1H-imidazole (PubChem CID 71071019) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 2-chloro-1,3,5-trimethylbenzene;4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-chloro-1,3,5-trimethylbenzene;4,5-dihydro-1H-imidazole
PubChem CID71071019
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name2-chloro-1,3,5-trimethylbenzene;4,5-dihydro-1H-imidazole
SMILESC1=NCCN1.Cc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C9H11Cl.C3H6N2/c1-6-4-7(2)9(10)8(3)5-6;1-2-5-3-4-1/h4-5H,1-3H3;3H,1-2H2,(H,4,5)
InChIKeyYPXHTACDANOZFC-UHFFFAOYSA-N
XLogP2.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(4,5-dihydro-1H-imidazole);ethene
CID 67005701
2-chloro-1,3,5-trimethylbenzene;sulfur dioxide
CID 70454194
N-(2,4,6-trimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 10354248
4,6-dichloro-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine
CID 59052845
2-[(2-chloro-3,5-dimethylphenyl)methyl]piperidine
CID 117348318
13,27-dimethyl-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),2,9,11,13,15(30),16,23,25(29),26-decaene-29,30-dithiol
CID 136903434
(4-chloro-3,5-dimethylphenyl) 2,4,6-trimethylbenzoate
CID 19166017
trimethyl-[(2,4,6-trimethylphenyl)-bis(trimethylsilyl)silyl]silane
CID 15655090
1-chloro-2,3,5-trimethylbenzene;ethane
CID 142028955
2-chloro-5-[2-[2-(4-chloro-3,5-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene
CID 142781475
2-[1-(2-chloro-3,5-dimethylphenyl)cyclopropyl]acetic acid
CID 84799380
2-(2-chloro-3,5-dimethylphenyl)-2-methylpropan-1-ol
CID 117303450

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3,5-trimethylbenzene;4,5-dihydro-1H-imidazole?
The IUPAC name of 2-chloro-1,3,5-trimethylbenzene;4,5-dihydro-1H-imidazole (CID 71071019) is 2-chloro-1,3,5-trimethylbenzene;4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-chloro-1,3,5-trimethylbenzene;4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-chloro-1,3,5-trimethylbenzene;4,5-dihydro-1H-imidazole is C1=NCCN1.Cc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of 2-chloro-1,3,5-trimethylbenzene;4,5-dihydro-1H-imidazole?
The InChIKey is YPXHTACDANOZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl.C3H6N2/c1-6-4-7(2)9(10)8(3)5-6;1-2-5-3-4-1/h4-5H,1-3H3;3H,1-2H2,(H,4,5).
What are the key properties of 2-chloro-1,3,5-trimethylbenzene;4,5-dihydro-1H-imidazole?
2-chloro-1,3,5-trimethylbenzene;4,5-dihydro-1H-imidazole has a molecular weight of 224.73 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3,5-trimethylbenzene;4,5-dihydro-1H-imidazole is sourced from PubChem (CID 71071019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).