1-[cyclohexa-1,3-dien-1-yl-(2,4-dichlorophenyl)methyl]imidazole

C16H14Cl2N2 — CID 163657718

IUPAC1-[cyclohexa-1,3-dien-1-yl-(2,4-dichlorophenyl)methyl]imidazole
SMILESClc1ccc(C(C2=CC=CCC2)n2ccnc2)c(Cl)c1
InChIInChI=1S/C16H14Cl2N2/c17-13-6-7-14(15(18)10-13)16(20-9-8-19-11-20)12-4-2-1-3-5-12/h1-2,4,6-11,16H,3,5H2
InChIKeyIRRUVNMEOQDFKS-UHFFFAOYSA-N
MW305.21 g/mol
LogP5.06
Rot. Bonds3

About 1-[cyclohexa-1,3-dien-1-yl-(2,4-dichlorophenyl)methyl]imidazole

1-[cyclohexa-1,3-dien-1-yl-(2,4-dichlorophenyl)methyl]imidazole (PubChem CID 163657718) has the molecular formula C16H14Cl2N2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 1-[cyclohexa-1,3-dien-1-yl-(2,4-dichlorophenyl)methyl]imidazole.

Molecular Properties

Compound Name1-[cyclohexa-1,3-dien-1-yl-(2,4-dichlorophenyl)methyl]imidazole
PubChem CID163657718
Molecular FormulaC16H14Cl2N2
Molecular Weight305.21 g/mol
Exact Mass304.05
IUPAC Name1-[cyclohexa-1,3-dien-1-yl-(2,4-dichlorophenyl)methyl]imidazole
SMILESClc1ccc(C(C2=CC=CCC2)n2ccnc2)c(Cl)c1
InChIInChI=1S/C16H14Cl2N2/c17-13-6-7-14(15(18)10-13)16(20-9-8-19-11-20)12-4-2-1-3-5-12/h1-2,4,6-11,16H,3,5H2
InChIKeyIRRUVNMEOQDFKS-UHFFFAOYSA-N
XLogP5.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.21
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]imidazole
CID 53262807
1-[(1R)-1-(2,4-dichlorophenyl)-2-[(2R)-2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole
CID 166732164
1-[1-(2,4-dichlorophenyl)-2-[2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole
CID 139707946
1-[(2,4-dichlorophenyl)-[4-(4-methylsulfanylphenyl)-1H-pyrrol-3-yl]methyl]imidazole
CID 6481293
3-(2,4-dichlorophenyl)-2-imidazol-1-ylbutanethioic S-acid
CID 88521711
6-[(2,4-dichlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1,3-benzoxazol-2-one
CID 42600489
1-[[4-(4-chloro-2-pyrrol-1-ylphenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole
CID 155515175
copper;carbanide;3-(2,4-dichlorophenyl)-2-imidazol-1-ylbutanethioic S-acid;chloride
CID 88521710
1-[(2,4-dichlorophenyl)-(4-naphthalen-2-yl-1H-pyrrol-3-yl)methyl]imidazole
CID 155544140
1-[(2,4-dichlorophenyl)-[4-(4-methoxyphenyl)-1H-pyrrol-3-yl]methyl]imidazole
CID 155561094
1-[(R)-(5-chloro-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole
CID 76961172
S-methyl 3-(2,4-dichlorophenyl)-2-imidazol-1-ylbutanethioate
CID 21294312

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexa-1,3-dien-1-yl-(2,4-dichlorophenyl)methyl]imidazole?
The IUPAC name of 1-[cyclohexa-1,3-dien-1-yl-(2,4-dichlorophenyl)methyl]imidazole (CID 163657718) is 1-[cyclohexa-1,3-dien-1-yl-(2,4-dichlorophenyl)methyl]imidazole.
What is the SMILES notation for 1-[cyclohexa-1,3-dien-1-yl-(2,4-dichlorophenyl)methyl]imidazole?
The canonical SMILES for 1-[cyclohexa-1,3-dien-1-yl-(2,4-dichlorophenyl)methyl]imidazole is Clc1ccc(C(C2=CC=CCC2)n2ccnc2)c(Cl)c1.
What is the InChIKey of 1-[cyclohexa-1,3-dien-1-yl-(2,4-dichlorophenyl)methyl]imidazole?
The InChIKey is IRRUVNMEOQDFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2/c17-13-6-7-14(15(18)10-13)16(20-9-8-19-11-20)12-4-2-1-3-5-12/h1-2,4,6-11,16H,3,5H2.
What are the key properties of 1-[cyclohexa-1,3-dien-1-yl-(2,4-dichlorophenyl)methyl]imidazole?
1-[cyclohexa-1,3-dien-1-yl-(2,4-dichlorophenyl)methyl]imidazole has a molecular weight of 305.21 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexa-1,3-dien-1-yl-(2,4-dichlorophenyl)methyl]imidazole is sourced from PubChem (CID 163657718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).