1-[(2-chloro-6-fluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imidazole

C20H18ClFN2 — CID 70592444

IUPAC1-[(2-chloro-6-fluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imidazole
SMILESFc1cccc(Cl)c1C(c1ccc2c(c1)CCCC2)n1ccnc1
InChIInChI=1S/C20H18ClFN2/c21-17-6-3-7-18(22)19(17)20(24-11-10-23-13-24)16-9-8-14-4-1-2-5-15(14)12-16/h3,6-13,20H,1-2,4-5H2
InChIKeyAQURDYCPWBXZKN-UHFFFAOYSA-N
MW340.83 g/mol
LogP5.19
Rot. Bonds3

About 1-[(2-chloro-6-fluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imidazole

1-[(2-chloro-6-fluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imidazole (PubChem CID 70592444) has the molecular formula C20H18ClFN2 and a molecular weight of 340.83 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imidazole.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imidazole
PubChem CID70592444
Molecular FormulaC20H18ClFN2
Molecular Weight340.83 g/mol
Exact Mass340.11
IUPAC Name1-[(2-chloro-6-fluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imidazole
SMILESFc1cccc(Cl)c1C(c1ccc2c(c1)CCCC2)n1ccnc1
InChIInChI=1S/C20H18ClFN2/c21-17-6-3-7-18(22)19(17)20(24-11-10-23-13-24)16-9-8-14-4-1-2-5-15(14)12-16/h3,6-13,20H,1-2,4-5H2
InChIKeyAQURDYCPWBXZKN-UHFFFAOYSA-N
XLogP5.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.83
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[bromo-(2-chloro-6-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439442
6-[chloro-(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63431220
1-[(2-fluorophenyl)-(3-methyl-2,3-dihydro-1H-inden-5-yl)methyl]imidazole
CID 70590803
(2,6-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115569
6-[chloro-(2-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 81461136
1-[(2-chlorophenyl)-(5,6,7,8-tetrachloro-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imidazole
CID 57320114
6-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107991592
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-imidazol-1-ylpropanamide
CID 51132550
(2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 81454834
6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63430631
1,2-dichlorobenzene;6-methyl-1,2,3,4-tetrahydronaphthalene
CID 143596446
1-(2-chloro-6-fluorophenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 75483187

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imidazole?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imidazole (CID 70592444) is 1-[(2-chloro-6-fluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imidazole.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imidazole?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imidazole is Fc1cccc(Cl)c1C(c1ccc2c(c1)CCCC2)n1ccnc1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imidazole?
The InChIKey is AQURDYCPWBXZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2/c21-17-6-3-7-18(22)19(17)20(24-11-10-23-13-24)16-9-8-14-4-1-2-5-15(14)12-16/h3,6-13,20H,1-2,4-5H2.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imidazole?
1-[(2-chloro-6-fluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imidazole has a molecular weight of 340.83 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imidazole is sourced from PubChem (CID 70592444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).